← Back to consensus flows

2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate

UUID 4af61c3e-9999-4059-8a3c-8fc78a945225
Flow Object IDfo-5e7753f7a7dbed0d
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 32052-51-0
EC Numbers 915-277-1
prefLabel
Language Value Provenance
en 2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate
altLabel ⓘ
Language Value Provenance
en 1,6-Diisocyanato-2,2,4(2,4,4)-trimethylhexane
en 1,6-Diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethylhexane
en 1,6-Diisocyanato-2,2,4(or 2,4,4)-trimethylhexane
en 2,2(4),4-Trimethylhexane-1,6-diisocyaanate
en 2,2,4(2,4,4)-Trimethylhexyl-1,6-diisocyanate
en 2,2,4(<em>or</em> 2,4,4)-Trimethylhexamethylene diisocyanate
en 2,2,4(Or2,4,4)-trimethyl-1,6-hexamethylene diisocyanate
en Hexane, 1,6-diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethyl-
en Isocyanic acid, trimethylhexamethylene ester
en TMDI
en TMHDI
References
Shared Properties
Predicate Value
InChIKey ATOUXIOKEJWULN-UHFFFAOYSA-N, VZXPHDGHQXLXJC-UHFFFAOYSA-N, XLRHAAFCQUDHHF-UHFFFAOYSA-N
InChI InChI=1S/2C11H18N2O2/c1-10(7-13-9-15)6-11(2,3)4-5-12-8-14;1-10(4-5-12-8-14)6-11(2,3)7-13-9-15/h2*10H,4-7H2,1-3H3, InChI=1S/C11H18N2O2/c1-10(11(2,3)13-9-15)6-4-5-7-12-8-14/h10H,4-7H2,1-3H3, InChI=1S/C11H18N2O2/c1-10(4-5-12-8-14)6-11(2,3)7-13-9-15/h10H,4-7H2,1-3H3
IUPAC name 1,6-diisocyanato-2,2,4-trimethyl-hexane, 1,6-diisocyanato-2,2,4-trimethyl-hexane;1,6-diisocyanato-2,4,4-trimethyl-hexane, 1,6-diisocyanato-2,2,4-trimethylhexane, 1,6-diisocyanato-2,2,4-trimethylhexane;1,6-diisocyanato-2,4,4-trimethylhexane, 1,6-diisocyanato-5,6-dimethyl-heptane, 1,6-diisocyanato-5,6-dimethylheptane
Molecular formula C11H18N2O2, C22H36N4O4
SMILES CC(CCCCN=C=O)C(C)(C)N=C=O, CC(CCN=C=O)CC(C)(C)CN=C=O, CC(CCN=C=O)CC(C)(C)CN=C=O.CC(CC(C)(C)CCN=C=O)CN=C=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4af61c3e-9999-4059-8a3c-8fc78a945225 2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate Emissions/Emissions to water/Emissions to water, unspecified 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(or2,4,4)-trimethylhexane-1,6-diisocyanate||dimension=Environmental > media=Ground > geography=Unknown; cas=32052-51-0; added Common Chemistry CAS names as altLabel: 1,6-Diisocyanato-2,2,4(2,4,4)-trimethylhexane, 1,6-Diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethylhexane, 1,6-Diisocyanato-2,2,4(or 2,4,4)-trimethylhexane, 2,2(4),4-Trimethylhexane-1,6-diisocyaanate, 2,2,4(2,4,4)-Trimethylhexyl-1,6-diisocyanate, 2,2,4(<em>or</em> 2,4,4)-Trimethylhexamethylene diisocyanate, 2,2,4(Or2,4,4)-trimethyl-1,6-hexamethylene diisocyanate, Hexane, 1,6-diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethyl-, Isocyanic acid, trimethylhexamethylene ester, TMDI, TMHDI; object_uuid=fo-5e7753f7a7dbed0d
cas_match_labels 1 — consensus_match group_key=2,2,4(or2,4,4)-trimethylhexane-1,6-diisocyanate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'32052-51-0': []}; assigned CAS labels from group consensus; object_uuid=fo-5e7753f7a7dbed0d: {'32052-51-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,6-Diisocyanato-2,2,4(2,4,4)-trimethylhexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6-Diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethylhexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6-Diisocyanato-2,2,4(or 2,4,4)-trimethylhexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2(4),4-Trimethylhexane-1,6-diisocyaanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4(2,4,4)-Trimethylhexyl-1,6-diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4(<em>or</em> 2,4,4)-Trimethylhexamethylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4(Or2,4,4)-trimethyl-1,6-hexamethylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexane, 1,6-diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isocyanic acid, trimethylhexamethylene ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TMDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TMHDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,2,4(or2,4,4)-trimethylhexane-1,6-diisocyanate||dimension=Environmental > media=Ground > geography=Unknown; cas=32052-51-0; added Common Chemistry CAS names as altLabel: 1,6-Diisocyanato-2,2,4(2,4,4)-trimethylhexane, 1,6-Diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethylhexane, 1,6-Diisocyanato-2,2,4(or 2,4,4)-trimethylhexane, 2,2(4),4-Trimethylhexane-1,6-diisocyaanate, 2,2,4(2,4,4)-Trimethylhexyl-1,6-diisocyanate, 2,2,4(<em>or</em> 2,4,4)-Trimethylhexamethylene diisocyanate, 2,2,4(Or2,4,4)-trimethyl-1,6-hexamethylene diisocyanate, Hexane, 1,6-diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethyl-, Isocyanic acid, trimethylhexamethylene ester, TMDI, TMHDI; object_uuid=fo-5e7753f7a7dbed0d
cas_match_labels None {'32052-51-0': 'exactMatch'} group_key=2,2,4(or2,4,4)-trimethylhexane-1,6-diisocyanate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'32052-51-0': []}; assigned CAS labels from group consensus; object_uuid=fo-5e7753f7a7dbed0d: {'32052-51-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "4af61c3e-9999-4059-8a3c-8fc78a945225",
  "name": null,
  "cas_numbers": [
    "32052-51-0"
  ],
  "ec_numbers": [
    "915-277-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 240.02
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 240.02
    }
  ],
  "source": "EF 3.1",
  "identifier": "4af61c3e-9999-4059-8a3c-8fc78a945225",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "4af61c3e-9999-4059-8a3c-8fc78a945225",
      "source_flow_name": "2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate",
      "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 water",
          "Emissions to water, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "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-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H18N2O2",
        "C22H36N4O4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61858",
          "CID:3033881",
          "CID:21987741"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ATOUXIOKEJWULN-UHFFFAOYSA-N",
        "VZXPHDGHQXLXJC-UHFFFAOYSA-N",
        "XLRHAAFCQUDHHF-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61858",
          "CID:3033881",
          "CID:21987741"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(CCCCN=C=O)C(C)(C)N=C=O",
        "CC(CCN=C=O)CC(C)(C)CN=C=O",
        "CC(CCN=C=O)CC(C)(C)CN=C=O.CC(CC(C)(C)CCN=C=O)CN=C=O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61858",
          "CID:3033881",
          "CID:21987741"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/2C11H18N2O2/c1-10(7-13-9-15)6-11(2,3)4-5-12-8-14;1-10(4-5-12-8-14)6-11(2,3)7-13-9-15/h2*10H,4-7H2,1-3H3",
        "InChI=1S/C11H18N2O2/c1-10(11(2,3)13-9-15)6-4-5-7-12-8-14/h10H,4-7H2,1-3H3",
        "InChI=1S/C11H18N2O2/c1-10(4-5-12-8-14)6-11(2,3)7-13-9-15/h10H,4-7H2,1-3H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61858",
          "CID:3033881",
          "CID:21987741"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,6-diisocyanato-2,2,4-trimethyl-hexane",
        "1,6-diisocyanato-2,2,4-trimethyl-hexane;1,6-diisocyanato-2,4,4-trimethyl-hexane",
        "1,6-diisocyanato-2,2,4-trimethylhexane",
        "1,6-diisocyanato-2,2,4-trimethylhexane;1,6-diisocyanato-2,4,4-trimethylhexane",
        "1,6-diisocyanato-5,6-dimethyl-heptane",
        "1,6-diisocyanato-5,6-dimethylheptane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61858",
          "CID:3033881",
          "CID:21987741"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.138A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61858;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32052-51-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.037.259",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61858;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32052-51-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.044.668",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3033881;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32052-51-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.222.057",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21987741;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32052-51-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=195456-49-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3033881;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32052-51-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=32052-51-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "32052-51-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID0044602",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61858;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32052-51-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID60951342",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3033881;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32052-51-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID70621221",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21987741;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32052-51-0]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X92D8F674P",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61858;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32052-51-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/21987741",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21987741;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[32052-51-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3033881",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3033881;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[32052-51-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/61858",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61858;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[32052-51-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2328",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61858;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32052-51-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27293699",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61858;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32052-51-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72514071",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3033881;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32052-51-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82524665",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21987741;CAS:32052-51-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32052-51-0]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,6-Diisocyanato-2,2,4(2,4,4)-trimethylhexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32052-51-0",
          "https://commonchemistry.cas.org/detail?cas_rn=32052-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,6-Diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethylhexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32052-51-0",
          "https://commonchemistry.cas.org/detail?cas_rn=32052-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,6-Diisocyanato-2,2,4(or 2,4,4)-trimethylhexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32052-51-0",
          "https://commonchemistry.cas.org/detail?cas_rn=32052-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2(4),4-Trimethylhexane-1,6-diisocyaanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32052-51-0",
          "https://commonchemistry.cas.org/detail?cas_rn=32052-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,4(2,4,4)-Trimethylhexyl-1,6-diisocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32052-51-0",
          "https://commonchemistry.cas.org/detail?cas_rn=32052-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,4(<em>or</em> 2,4,4)-Trimethylhexamethylene diisocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32052-51-0",
          "https://commonchemistry.cas.org/detail?cas_rn=32052-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,4(Or2,4,4)-trimethyl-1,6-hexamethylene diisocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32052-51-0",
          "https://commonchemistry.cas.org/detail?cas_rn=32052-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexane, 1,6-diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32052-51-0",
          "https://commonchemistry.cas.org/detail?cas_rn=32052-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isocyanic acid, trimethylhexamethylene ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32052-51-0",
          "https://commonchemistry.cas.org/detail?cas_rn=32052-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TMDI",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32052-51-0",
          "https://commonchemistry.cas.org/detail?cas_rn=32052-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TMHDI",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32052-51-0",
          "https://commonchemistry.cas.org/detail?cas_rn=32052-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "32052-51-0": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/4af61c3e-9999-4059-8a3c-8fc78a945225",
        "skos:prefLabel": "2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/4af61c3e-9999-4059-8a3c-8fc78a945225"
      },
      "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-5e7753f7a7dbed0d"
}