← Back to consensus flows

Decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid

UUID 719e98e7-9098-4e36-b4ee-09444106dd91
Flow Object IDfo-c7b4999948ddd439
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 71010-76-9
EC Numbers 275-118-0
prefLabel
Language Value Provenance
en Decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid
altLabel ⓘ
Language Value Provenance
en Tetra-esterification Products Of Nc5, C7, C8, C10 Fatty Acids With Pentaerythritol
References
Shared Properties
Predicate Value
InChIKey ZIRMEZKEFPNOEV-UHFFFAOYSA-N
InChI InChI=1S/C10H20O2.C8H16O2.C7H14O2.C5H12O4.C5H10O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-2-3-4-5-6-7(8)9;6-1-5(2-7,3-8)4-9;1-2-3-4-5(6)7/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);2-6H2,1H3,(H,8,9);6-9H,1-4H2;2-4H2,1H3,(H,6,7)
IUPAC name 2,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;heptanoic acid;octanoic acid;pentanoic acid, capric acid;caprylic acid;2,2-dimethylolpropane-1,3-diol;enanthic acid;valeric acid
Molecular formula C35H72O12
SMILES CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 719e98e7-9098-4e36-b4ee-09444106dd91 tetra-esterification products of nc5, c7, c8, c10 fatty acids with pentaerythritol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 tetra-esterification products of nc5, c7, c8, c10 fatty acids with pentaerythritol Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere 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=tetra-esterificationproductsofnc5,c7,c8,c10fattyacidswithpentaerythritol||dimension=Environmental > media=Water > water_body=Ocean; cas=71010-76-9; added Common Chemistry CAS names as altLabel: Decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid; object_uuid=fo-c7b4999948ddd439
cas_match_labels 1 — consensus_match group_key=tetra-esterificationproductsofnc5,c7,c8,c10fattyacidswithpentaerythritol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'71010-76-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c7b4999948ddd439: {'71010-76-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:71010-76-9', 'https://commonchemistry.cas.org/detail?cas_rn=71010-76-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=tetra-esterificationproductsofnc5,c7,c8,c10fattyacidswithpentaerythritol||dimension=Environmental > media=Water > water_body=Ocean; cas=71010-76-9; added Common Chemistry CAS names as altLabel: Decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid; object_uuid=fo-c7b4999948ddd439
cas_match_labels None {'71010-76-9': 'exactMatch'} group_key=tetra-esterificationproductsofnc5,c7,c8,c10fattyacidswithpentaerythritol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'71010-76-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c7b4999948ddd439: {'71010-76-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "719e98e7-9098-4e36-b4ee-09444106dd91",
  "name": null,
  "cas_numbers": [
    "71010-76-9"
  ],
  "ec_numbers": [
    "275-118-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Aircraft cruise height"
  },
  "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": 0.0074704
    },
    {
      "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": 7.9334e-8
    },
    {
      "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": 7.9334e-8
    },
    {
      "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": 0.0074704
    }
  ],
  "source": "EF 3.1",
  "identifier": "719e98e7-9098-4e36-b4ee-09444106dd91",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "719e98e7-9098-4e36-b4ee-09444106dd91",
      "source_flow_name": "tetra-esterification products of nc5, c7, c8, c10 fatty acids with pentaerythritol",
      "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 lower stratosphere and upper troposphere"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:71010-76-9",
          "CID:172700"
        ],
        "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-aicrhe",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C35H72O12"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:172700"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ZIRMEZKEFPNOEV-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:172700"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:172700"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H20O2.C8H16O2.C7H14O2.C5H12O4.C5H10O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-2-3-4-5-6-7(8)9;6-1-5(2-7,3-8)4-9;1-2-3-4-5(6)7/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);2-6H2,1H3,(H,8,9);6-9H,1-4H2;2-4H2,1H3,(H,6,7)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:172700"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;heptanoic acid;octanoic acid;pentanoic acid",
        "capric acid;caprylic acid;2,2-dimethylolpropane-1,3-diol;enanthic acid;valeric acid"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:172700"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.068.268",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:172700;CAS:71010-76-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71010-76-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=71010-76-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "71010-76-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/172700",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:172700;CAS:71010-76-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[71010-76-9]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Tetra-esterification Products Of Nc5, C7, C8, C10 Fatty Acids With Pentaerythritol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "719e98e7-9098-4e36-b4ee-09444106dd91"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "71010-76-9": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/719e98e7-9098-4e36-b4ee-09444106dd91",
        "skos:prefLabel": "tetra-esterification products of nc5, c7, c8, c10 fatty acids with pentaerythritol",
        "context": "Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/719e98e7-9098-4e36-b4ee-09444106dd91"
      },
      "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-c7b4999948ddd439"
}