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Hexylene Glycol

UUID f9d008c2-28d3-41ae-b3b0-e2b6dc8a600d
Deprecated yes
Replaced By 2534575e-80a1-48d8-b13b-1d5661b50381
Flow Object IDfo-5ff05efb236c1121
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 107-41-5
EC Numbers 203-489-0
prefLabel
Language Value Provenance
en Hexylene Glycol
altLabel ⓘ
Language Value Provenance
en 1,1,3-Trimethyltrimethylenediol
en 1,1,3-trimethyl-1,3-propanediol
en 1,3,3-trimethyl-1,3-propanediol
en 1,3-dimethyl-3-hydroxybutanol
en 2,4-Dihydroxy-2-methylpentane
en 2-Methyl pentane-2,4-diol
en 2-Methyl-2,4-pentandiol
en 2-Methyl-2,4-pentanediol
en 4-Methyl-2,4-pentanediol
en MPD
en alpha,alpha,alpha'-trimethyltrimethylene glycol
en (±)-2-Methyl-2,4-pentanediol
en 2,4-Pentanediol, 2-methyl-
en Diolane
en Hexalene glycol
en Hexasol
en Isohexanediol
en Isol
en NSC 8098
en α,α,α′-Trimethyltrimethylene glycol
en 2-methylpentane-2,4-diol
Definitions
Language Value Provenance
en A glycol in which the two hydroxy groups are at positions 2 and 4 of 2-methylpentane (isopentane).
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey SVTBMSDMJJWYQN-UHFFFAOYSA-N
InChI InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
IUPAC name 2-methylpentane-2,4-diol
Molecular formula C6H14O2
Molecular mass 118.176
Monoisotopic mass 118.09938
SMILES CC(CC(C)(C)O)O, CC(O)CC(C)(C)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f9d008c2-28d3-41ae-b3b0-e2b6dc8a600d 2-methylpentane-2,4-diol

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-methylpentane-2,4-diol||dimension=Environmental > media=Water > water_body=Surface water; cas=107-41-5; added Common Chemistry CAS names as altLabel: (±)-2-Methyl-2,4-pentanediol, 2,4-Pentanediol, 2-methyl-, Diolane, Hexalene glycol, Hexasol, Isohexanediol, Isol, NSC 8098, α,α,α′-Trimethyltrimethylene glycol; object_uuid=fo-5ff05efb236c1121
cas_match_labels 1 — consensus_match group_key=2-methylpentane-2,4-diol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-41-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ff05efb236c1121: {'107-41-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1,1,3-Trimethyltrimethylenediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,3-Trimethyltrimethylenediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,1,3-trimethyl-1,3-propanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,3-trimethyl-1,3-propanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3,3-trimethyl-1,3-propanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3,3-trimethyl-1,3-propanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-dimethyl-3-hydroxybutanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-dimethyl-3-hydroxybutanol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,4-Dihydroxy-2-methylpentane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,4-Dihydroxy-2-methylpentane', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methyl pentane-2,4-diol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Methyl pentane-2,4-diol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methyl-2,4-pentandiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Methyl-2,4-pentandiol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methyl-2,4-pentanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Methyl-2,4-pentanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Methyl-2,4-pentanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Methyl-2,4-pentanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexylene glycol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexylene glycol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'MPD', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:MPD', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "alpha,alpha,alpha'-trimethyltrimethylene glycol", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:alpha,alpha,alpha'-trimethyltrimethylene glycol", 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,1,3-Trimethyltrimethylenediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,3-Trimethyltrimethylenediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,1,3-trimethyl-1,3-propanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,3-trimethyl-1,3-propanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3,3-trimethyl-1,3-propanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3,3-trimethyl-1,3-propanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-dimethyl-3-hydroxybutanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-dimethyl-3-hydroxybutanol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,4-Dihydroxy-2-methylpentane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,4-Dihydroxy-2-methylpentane', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methyl pentane-2,4-diol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Methyl pentane-2,4-diol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methyl-2,4-pentandiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Methyl-2,4-pentandiol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methyl-2,4-pentanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Methyl-2,4-pentanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Methyl-2,4-pentanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Methyl-2,4-pentanediol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexylene glycol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexylene glycol', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'MPD', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:MPD', 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "alpha,alpha,alpha'-trimethyltrimethylene glycol", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:alpha,alpha,alpha'-trimethyltrimethylene glycol", 'http://purl.obolibrary.org/obo/CHEBI_62995', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-2-Methyl-2,4-pentanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,4-Pentanediol, 2-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diolane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexalene glycol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexasol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isohexanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8098', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α,α,α′-Trimethyltrimethylene glycol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-methylpentane-2,4-diol||dimension=Environmental > media=Water > water_body=Surface water; cas=107-41-5; added Common Chemistry CAS names as altLabel: (±)-2-Methyl-2,4-pentanediol, 2,4-Pentanediol, 2-methyl-, Diolane, Hexalene glycol, Hexasol, Isohexanediol, Isol, NSC 8098, α,α,α′-Trimethyltrimethylene glycol; object_uuid=fo-5ff05efb236c1121
cas_match_labels None {'107-41-5': 'exactMatch'} group_key=2-methylpentane-2,4-diol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-41-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ff05efb236c1121: {'107-41-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
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  "ec_numbers": [
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  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "f9d008c2-28d3-41ae-b3b0-e2b6dc8a600d",
  "input_datasets": [
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      "source_flow_name": "2-methylpentane-2,4-diol",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
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      "@value": "Hexylene Glycol",
      "@language": "en",
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/smiles_string": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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      "rdfs:label": "InChI",
      "provenance": [
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      "rdfs:label": "InChIKey",
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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      "rdfs:label": "IUPAC name",
      "provenance": {
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