← Back to consensus flows

Dimethylhexadecylamine

UUID a15f014d-6906-423f-8bd4-15ecdbc2b94d
Flow Object IDfo-69026b6391106b72
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 68037-96-7
EC Numbers 268-220-1
prefLabel
Language Value Provenance
en Dimethylhexadecylamine
altLabel
Language Value Provenance
en Amines, (C<sub>16-18</sub> and C<sub>18</sub>-unsatd. alkyl)dimethyl
en N,n-dimethyl-c16-18-(even Numbered, C18 Unsaturated)-alkyl-1-amines
References
Shared Properties
Predicate Value
InChIKey NHLUVTZJQOJKCC-UHFFFAOYSA-N
InChI InChI=1S/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h4-18H2,1-3H3
IUPAC name N,N-dimethyl-1-hexadecanamine, N,N-dimethylhexadecan-1-amine, cetyl(dimethyl)amine
Molecular formula C18H39N
SMILES CCCCCCCCCCCCCCCCN(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 a15f014d-6906-423f-8bd4-15ecdbc2b94d n,n-dimethyl-c16-18-(even numbered, c18 unsaturated)-alkyl-1-amines

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 n,n-dimethyl-c16-18-(even numbered, c18 unsaturated)-alkyl-1-amines Emissions/Emissions to air/Emissions to air, 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=n,n-dimethyl-c16-18-(evennumbered,c18unsaturated)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68037-96-7; added Common Chemistry CAS names as altLabel: Amines, (C<sub>16-18</sub> and C<sub>18</sub>-unsatd. alkyl)dimethyl; object_uuid=fo-69026b6391106b72
cas_match_labels 1 consensus_match group_key=n,n-dimethyl-c16-18-(evennumbered,c18unsaturated)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68037-96-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-69026b6391106b72: {'68037-96-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Amines, (C<sub>16-18</sub> and C<sub>18</sub>-unsatd. alkyl)dimethyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68037-96-7', 'https://commonchemistry.cas.org/detail?cas_rn=68037-96-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=n,n-dimethyl-c16-18-(evennumbered,c18unsaturated)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68037-96-7; added Common Chemistry CAS names as altLabel: Amines, (C<sub>16-18</sub> and C<sub>18</sub>-unsatd. alkyl)dimethyl; object_uuid=fo-69026b6391106b72
cas_match_labels None {'68037-96-7': 'exactMatch'} group_key=n,n-dimethyl-c16-18-(evennumbered,c18unsaturated)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68037-96-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-69026b6391106b72: {'68037-96-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "a15f014d-6906-423f-8bd4-15ecdbc2b94d",
  "name": null,
  "cas_numbers": [
    "68037-96-7"
  ],
  "ec_numbers": [
    "268-220-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "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": 2477.3
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.7805e-7
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.7805e-7
    },
    {
      "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": 2477.3
    }
  ],
  "source": "EF 3.1",
  "identifier": "a15f014d-6906-423f-8bd4-15ecdbc2b94d",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "a15f014d-6906-423f-8bd4-15ecdbc2b94d",
      "source_flow_name": "n,n-dimethyl-c16-18-(even numbered, c18 unsaturated)-alkyl-1-amines",
      "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"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Dimethylhexadecylamine",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68037-96-7",
          "CID:16221"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "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": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-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": [
        "C18H39N"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NHLUVTZJQOJKCC-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCCCCCCCCCN(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h4-18H2,1-3H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "N,N-dimethyl-1-hexadecanamine",
        "N,N-dimethylhexadecan-1-amine",
        "cetyl(dimethyl)amine"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J106.586F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221;CAS:68037-96-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68037-96-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.003.634",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221;CAS:68037-96-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68037-96-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=68037-96-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "68037-96-7"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9026924",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221;CAS:68037-96-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68037-96-7]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=404177",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221;CAS:68037-96-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68037-96-7]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8493",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221;CAS:68037-96-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68037-96-7]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5E4QI660PW",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221;CAS:68037-96-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68037-96-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16221",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221;CAS:68037-96-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[68037-96-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2735",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221;CAS:68037-96-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68037-96-7]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1877748",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221;CAS:68037-96-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68037-96-7]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=156940",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221;CAS:68037-96-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68037-96-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q24736646",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221;CAS:68037-96-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68037-96-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72514780",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16221;CAS:68037-96-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68037-96-7]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Amines, (C<sub>16-18</sub> and C<sub>18</sub>-unsatd. alkyl)dimethyl",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68037-96-7",
          "https://commonchemistry.cas.org/detail?cas_rn=68037-96-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,n-dimethyl-c16-18-(even Numbered, C18 Unsaturated)-alkyl-1-amines",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "a15f014d-6906-423f-8bd4-15ecdbc2b94d"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "68037-96-7": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/a15f014d-6906-423f-8bd4-15ecdbc2b94d",
        "skos:prefLabel": "n,n-dimethyl-c16-18-(even numbered, c18 unsaturated)-alkyl-1-amines",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/a15f014d-6906-423f-8bd4-15ecdbc2b94d"
      },
      "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-69026b6391106b72"
}