← Back to consensus flow objects

Decanoic Acid, Mixed Diesters With Octanoic Acid And Propylene Glycol

Flow Object IDfo-e343e40a13c0f881
TypeConsensus
prefLabel
Label Language
Decanoic Acid, Mixed Diesters With Octanoic Acid And Propylene Glycol en
CAS Numbers68583-51-7
EC Numbers271-516-3
Changes Applied13

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

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
c1ac2de9… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 1
a4b3d9e5… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
3dabaff8… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 1
0891ba2f… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 1
0cf58908… EF 3.1 kg Environmental → Air → Unknown 4 1
cb30c1b3… EF 3.1 kg Environmental → Air → Unknown 4 1
71c54f7f… EF 3.1 kg Environmental → Ground → Agricultural 4 1
45ce122d… EF 3.1 kg Environmental → Ground → Unknown 4 1
ccf67e66… EF 3.1 kg Environmental → Water → Ocean 4 1
231a27c4… EF 3.1 kg Environmental → Water → Surface water 4 1
893ee011… EF 3.1 kg Environmental → Water → Unknown 4 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0891ba2f… cas_match_labels — {"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'}
0cf58908… cas_match_labels — {"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'}
11fb61f2… cas_match_labels — {"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'}
231a27c4… cas_match_labels — {"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'}
3dabaff8… cas_match_labels — {"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'}
45ce122d… cas_match_labels — {"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'}
71c54f7f… cas_match_labels — {"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'}
893ee011… cas_match_labels — {"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'}
a4b3d9e5… cas_match_labels — {"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'}
c1ac2de9… cas_match_labels — {"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'}
cb30c1b3… cas_match_labels — {"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'}
ccf67e66… cas_match_labels — {"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'}
f64df071… cas_match_labels — {"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'}

Flow Object JSON

{
  "flow_object_id": "fo-e343e40a13c0f881",
  "prefLabel": [
    {
      "@value": "Decanoic Acid, Mixed Diesters With Octanoic Acid And Propylene Glycol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [],
  "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"
      }
    }
  },
  "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]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0891ba2f-84f7-4f8d-a9c6-50db98f2240e",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "68583-51-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=68583-51-7"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=68583-51-7"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "271-516-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=271-516-3"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null
}