← Back to consensus flows

2,2,4-trimethylpentane-1,3-diyl Bis(2-methylpropanoate)

UUID 71201958-985c-4d31-b701-feec53accc60
Flow Object IDfo-733d86c2ec086937
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 6846-50-0
EC Numbers 229-934-9
prefLabel
Language Value Provenance
en 2,2,4-trimethylpentane-1,3-diyl Bis(2-methylpropanoate)
altLabel ⓘ
Language Value Provenance
en 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate
en 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate
en 2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid diester
en 2,2,4-Trimethyl-1,3-pentanediol bis(isobutyrate)
en 2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)
en 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
en 2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate
en 2,2,4-Trimethylpentane 1,3-diisobutanoate
en 2,2-Dimethyl-1-(1-methylethyl)-1,3-propanediyl bis(2-methylpropanoate)
en C 16
en CS 16
en Eastman OE 300
en Eastman TXIB
en Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester
en Kodaflex TXIB
en Kyowanol D
en Kyowanol M
en NX 800
en NX 800 (coalescing agent)
en OE 300
en Optifilm Enhancer 300
en Propanoic acid, 2-methyl-, 1,1′-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester
en Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester
en RTC 16
en TXIB
en Texanol OE 300
en Texanol isobutyrate
en [2,2,4-Trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
References
Shared Properties
Predicate Value
InChIKey JXOHZSPZKSGSBN-UHFFFAOYSA-L, JXOHZSPZKSGSBN-UHFFFAOYSA-N, OMVSWZDEEGIJJI-UHFFFAOYSA-N
InChI InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3, InChI=1S/C8H18O2.2C4H8O2/c1-6(2)7(10)8(3,4)5-9;2*1-3(2)4(5)6/h6-7,9-10H,5H2,1-4H3;2*3H,1-2H3,(H,5,6), InChI=1S/C8H18O2.2C4H8O2/c1-6(2)7(10)8(3,4)5-9;2*1-3(2)4(5)6/h6-7,9-10H,5H2,1-4H3;2*3H,1-2H3,(H,5,6)/p-2
IUPAC name 2,2,4-trimethylpentane-1,3-diol diisobutyrate, 2-methylpropanoic acid [2,2,4-trimethyl-3-(2-methyl-1-oxopropoxy)pentyl] ester, 2-methylpropionic acid (3-isobutyryloxy-2,2,4-trimethyl-pentyl) ester, [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate, bis(2-methylpropanoate);2,2,4-trimethylpentane-1,3-diol, bis(2-methylpropanoic acid);2,2,4-trimethylpentane-1,3-diol, isobutyric acid;2,2,4-trimethylpentane-1,3-diol
Molecular formula C16H30O4, C16H32O6-2, C16H34O6
SMILES CC(C)C(C(C)(C)CO)O.CC(C)C(=O)O.CC(C)C(=O)O, CC(C)C(C(C)(C)CO)O.CC(C)C(=O)[O-].CC(C)C(=O)[O-], CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 71201958-985c-4d31-b701-feec53accc60 2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate) Emissions/Emissions to air/Emissions to air, unspecified (long-term) kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=2,2,4-trimethylpentane-1,3-diylbis(2-methylpropanoate)||dimension=Environmental > media=Ground > geography=Unknown; cas=6846-50-0; added Common Chemistry CAS names as altLabel: 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate, 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate, 2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid diester, 2,2,4-Trimethyl-1,3-pentanediol bis(isobutyrate), 2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate), 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, 2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate, 2,2,4-Trimethylpentane 1,3-diisobutanoate, 2,2-Dimethyl-1-(1-methylethyl)-1,3-propanediyl bis(2-methylpropanoate), C 16, CS 16, Eastman OE 300, Eastman TXIB, Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester, Kodaflex TXIB, Kyowanol D, Kyowanol M, NX 800, NX 800 (coalescing agent), OE 300, Optifilm Enhancer 300, Propanoic acid, 2-methyl-, 1,1′-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester, Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester, RTC 16, TXIB, Texanol OE 300, Texanol isobutyrate, [2,2,4-Trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate; object_uuid=fo-733d86c2ec086937
cas_match_labels 1 — consensus_match group_key=2,2,4-trimethylpentane-1,3-diylbis(2-methylpropanoate)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6846-50-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-733d86c2ec086937: {'6846-50-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid diester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4-Trimethyl-1,3-pentanediol bis(isobutyrate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4-Trimethyl-1,3-pentanediol diisobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4-Trimethylpentane 1,3-diisobutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2-Dimethyl-1-(1-methylethyl)-1,3-propanediyl bis(2-methylpropanoate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C 16', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CS 16', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Eastman OE 300', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Eastman TXIB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Kodaflex TXIB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Kyowanol D', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Kyowanol M', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NX 800', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NX 800 (coalescing agent)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'OE 300', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Optifilm Enhancer 300', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-methyl-, 1,1′-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'RTC 16', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TXIB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Texanol OE 300', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Texanol isobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '[2,2,4-Trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,2,4-trimethylpentane-1,3-diylbis(2-methylpropanoate)||dimension=Environmental > media=Ground > geography=Unknown; cas=6846-50-0; added Common Chemistry CAS names as altLabel: 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate, 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate, 2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid diester, 2,2,4-Trimethyl-1,3-pentanediol bis(isobutyrate), 2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate), 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, 2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate, 2,2,4-Trimethylpentane 1,3-diisobutanoate, 2,2-Dimethyl-1-(1-methylethyl)-1,3-propanediyl bis(2-methylpropanoate), C 16, CS 16, Eastman OE 300, Eastman TXIB, Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester, Kodaflex TXIB, Kyowanol D, Kyowanol M, NX 800, NX 800 (coalescing agent), OE 300, Optifilm Enhancer 300, Propanoic acid, 2-methyl-, 1,1′-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester, Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester, RTC 16, TXIB, Texanol OE 300, Texanol isobutyrate, [2,2,4-Trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate; object_uuid=fo-733d86c2ec086937
cas_match_labels None {'6846-50-0': 'exactMatch'} group_key=2,2,4-trimethylpentane-1,3-diylbis(2-methylpropanoate)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6846-50-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-733d86c2ec086937: {'6846-50-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "71201958-985c-4d31-b701-feec53accc60",
  "name": null,
  "cas_numbers": [
    "6846-50-0"
  ],
  "ec_numbers": [
    "229-934-9"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "71201958-985c-4d31-b701-feec53accc60",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "71201958-985c-4d31-b701-feec53accc60",
      "source_flow_name": "2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to air, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2,2,4-trimethylpentane-1,3-diyl Bis(2-methylpropanoate)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ru10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C16H30O4",
        "C16H32O6-2",
        "C16H34O6"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284",
          "CID:53249690",
          "CID:53400269"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "JXOHZSPZKSGSBN-UHFFFAOYSA-L",
        "JXOHZSPZKSGSBN-UHFFFAOYSA-N",
        "OMVSWZDEEGIJJI-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284",
          "CID:53249690",
          "CID:53400269"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)C(C(C)(C)CO)O.CC(C)C(=O)O.CC(C)C(=O)O",
        "CC(C)C(C(C)(C)CO)O.CC(C)C(=O)[O-].CC(C)C(=O)[O-]",
        "CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284",
          "CID:53249690",
          "CID:53400269"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3",
        "InChI=1S/C8H18O2.2C4H8O2/c1-6(2)7(10)8(3,4)5-9;2*1-3(2)4(5)6/h6-7,9-10H,5H2,1-4H3;2*3H,1-2H3,(H,5,6)",
        "InChI=1S/C8H18O2.2C4H8O2/c1-6(2)7(10)8(3,4)5-9;2*1-3(2)4(5)6/h6-7,9-10H,5H2,1-4H3;2*3H,1-2H3,(H,5,6)/p-2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284",
          "CID:53249690",
          "CID:53400269"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2,2,4-trimethylpentane-1,3-diol diisobutyrate",
        "2-methylpropanoic acid [2,2,4-trimethyl-3-(2-methyl-1-oxopropoxy)pentyl] ester",
        "2-methylpropionic acid (3-isobutyryloxy-2,2,4-trimethyl-pentyl) ester",
        "[2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate",
        "bis(2-methylpropanoate);2,2,4-trimethylpentane-1,3-diol",
        "bis(2-methylpropanoic acid);2,2,4-trimethylpentane-1,3-diol",
        "isobutyric acid;2,2,4-trimethylpentane-1,3-diol"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284",
          "CID:53249690",
          "CID:53400269"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J15.698A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284;CAS:6846-50-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6846-50-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.027.213",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284;CAS:6846-50-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6846-50-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "6846-50-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID1027635",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284;CAS:6846-50-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6846-50-0]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4KZA479DWQ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284;CAS:6846-50-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6846-50-0]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0059777",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284;CAS:6846-50-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6846-50-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23284",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284;CAS:6846-50-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[6846-50-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/53249690",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:53249690;CAS:6846-50-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[6846-50-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/53400269",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:53400269;CAS:6846-50-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[6846-50-0]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:89871",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284;CAS:6846-50-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6846-50-0]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183335",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284;CAS:6846-50-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6846-50-0]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130611",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284;CAS:6846-50-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6846-50-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27162056",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23284;CAS:6846-50-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6846-50-0]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid diester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,4-Trimethyl-1,3-pentanediol bis(isobutyrate)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,4-Trimethyl-1,3-pentanediol diisobutyrate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,4-Trimethylpentane 1,3-diisobutanoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Dimethyl-1-(1-methylethyl)-1,3-propanediyl bis(2-methylpropanoate)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C 16",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CS 16",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Eastman OE 300",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Eastman TXIB",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kodaflex TXIB",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kyowanol D",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kyowanol M",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NX 800",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NX 800 (coalescing agent)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "OE 300",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Optifilm Enhancer 300",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, 2-methyl-, 1,1′-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "RTC 16",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TXIB",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Texanol OE 300",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Texanol isobutyrate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[2,2,4-Trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6846-50-0",
          "https://commonchemistry.cas.org/detail?cas_rn=6846-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "6846-50-0": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/71201958-985c-4d31-b701-feec53accc60",
        "skos:prefLabel": "2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/71201958-985c-4d31-b701-feec53accc60"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-733d86c2ec086937"
}