← Back to consensus flows

Decanoic Acid, Mixed Diesters With Octanoic Acid And Propylene Glycol

UUID f64df071-9c3f-4dc6-a2d8-3070f57f5910
Deprecated yes
Replaced By 45ce122d-0d1a-4e4e-a509-ba2454e3e44f
Flow Object IDfo-e343e40a13c0f881
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 68583-51-7
EC Numbers 271-516-3
prefLabel
Language Value Provenance
en Decanoic Acid, Mixed Diesters With Octanoic Acid And Propylene Glycol
References
Shared Properties
Predicate Value
InChIKey SWFYHWIKIJAOFO-UHFFFAOYSA-L, YZWQUQVFVLJWCS-UHFFFAOYSA-N
InChI InChI=1S/C10H20O2.C8H16O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-3(5)2-4/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);3-5H,2H2,1H3, InChI=1S/C39H72O8/c1-4-6-8-10-12-18-24-30-37(44)46-34(3)39(32-26-20-14-16-22-28-35(40)41,33-27-21-15-17-23-29-36(42)43)47-38(45)31-25-19-13-11-9-7-5-2/h34H,4-33H2,1-3H3,(H,40,41)(H,42,43)/p-2
IUPAC name 9-(1-oxodecoxy)-9-[1-(1-oxodecoxy)ethyl]heptadecanedioate, 9-capryloxy-9-(1-capryloxyethyl)heptadecanedioate, 9-decanoyloxy-9-(1-decanoyloxyethyl)heptadecanedioate, capric acid;caprylic acid;propane-1,2-diol, decanoic acid;octanoic acid;propane-1,2-diol
Molecular formula C21H44O6, C39H70O8-2
SMILES CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(CO)O, CCCCCCCCCC(=O)OC(C)C(CCCCCCCC(=O)[O-])(CCCCCCCC(=O)[O-])OC(=O)CCCCCCCCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f64df071-9c3f-4dc6-a2d8-3070f57f5910 decanoic acid, mixed diesters with octanoic acid and propylene glycol

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
cas_match_labels 1 consensus_match group_key=decanoicacid,mixeddiesterswithoctanoicacidandpropyleneglycol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68583-51-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e343e40a13c0f881: {'68583-51-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
cas_match_labels None {'68583-51-7': 'exactMatch'} group_key=decanoicacid,mixeddiesterswithoctanoicacidandpropyleneglycol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68583-51-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e343e40a13c0f881: {'68583-51-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "f64df071-9c3f-4dc6-a2d8-3070f57f5910",
  "name": null,
  "cas_numbers": [
    "68583-51-7"
  ],
  "ec_numbers": [
    "271-516-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "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": 7.2852
    },
    {
      "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": 7.2954e-10
    },
    {
      "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": 7.2954e-10
    },
    {
      "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": 7.2852
    }
  ],
  "source": "EF 3.1",
  "identifier": "f64df071-9c3f-4dc6-a2d8-3070f57f5910",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "f64df071-9c3f-4dc6-a2d8-3070f57f5910",
      "source_flow_name": "decanoic acid, mixed diesters with octanoic acid and propylene glycol",
      "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 soil",
          "Emissions to soil, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Decanoic Acid, Mixed Diesters With Octanoic Acid And Propylene Glycol",
      "@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",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-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": [
        "C21H44O6",
        "C39H70O8-2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:109479",
          "CID:92043516"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "SWFYHWIKIJAOFO-UHFFFAOYSA-L",
        "YZWQUQVFVLJWCS-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:109479",
          "CID:92043516"
        ],
        "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.CC(CO)O",
        "CCCCCCCCCC(=O)OC(C)C(CCCCCCCC(=O)[O-])(CCCCCCCC(=O)[O-])OC(=O)CCCCCCCCC"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:109479",
          "CID:92043516"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H20O2.C8H16O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-3(5)2-4/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);3-5H,2H2,1H3",
        "InChI=1S/C39H72O8/c1-4-6-8-10-12-18-24-30-37(44)46-34(3)39(32-26-20-14-16-22-28-35(40)41,33-27-21-15-17-23-29-36(42)43)47-38(45)31-25-19-13-11-9-7-5-2/h34H,4-33H2,1-3H3,(H,40,41)(H,42,43)/p-2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:109479",
          "CID:92043516"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "9-(1-oxodecoxy)-9-[1-(1-oxodecoxy)ethyl]heptadecanedioate",
        "9-capryloxy-9-(1-capryloxyethyl)heptadecanedioate",
        "9-decanoyloxy-9-(1-decanoyloxyethyl)heptadecanedioate",
        "capric acid;caprylic acid;propane-1,2-diol",
        "decanoic acid;octanoic acid;propane-1,2-diol"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:109479",
          "CID:92043516"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=68583-51-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:109479;CAS:68583-51-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68583-51-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/109479",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:109479;CAS:68583-51-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[68583-51-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/92043516",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92043516;CAS:68583-51-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[68583-51-7]"
      }
    },
    {
      "@id": "https://rxnav.nlm.nih.gov/id/rxnorm/1426622",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:109479;CAS:68583-51-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68583-51-7]"
      }
    }
  ],
  "cas_match_labels": {
    "68583-51-7": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:45ce122d-0d1a-4e4e-a509-ba2454e3e44f",
  "is_replaced_by_uuid": "45ce122d-0d1a-4e4e-a509-ba2454e3e44f",
  "flow_object_id": "fo-e343e40a13c0f881"
}