← Back to consensus flows

Methyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetate

UUID 359a2023-c7ac-47a3-b6e9-8a295ca3643f
Flow Object IDfo-316cab7ab9d52ddf
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 24863-70-5
EC Numbers 431-410-1
prefLabel
Language Value Provenance
en Methyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetate
altLabel ⓘ
Language Value Provenance
en 1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester
en Dehydrohedione
en Methyl (3-oxo-2-pentyl-1-cyclopenten-1-yl)acetate
en Methyl 2-pentyl-3-oxo-1-cyclopentenylacetate
en Methyl 3-oxo-2-pentyl-1-cyclopentene-1-acetate
References
Shared Properties
Predicate Value
InChIKey GJYFXPRHTPSOMM-UHFFFAOYSA-N, LTSWSLYEYFMNFU-UHFFFAOYSA-N
InChI InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h3-9H2,1-2H3, InChI=1S/C14H14ClNO2S2/c1-11-3-9-14(10-4-11)20(17,18)16-19(2)13-7-5-12(15)6-8-13/h3-10H,1-2H3
IUPAC name (NE)-N-[(4-chlorophenyl)-methyl-lambda4-sulfanylidene]-4-methyl-benzenesulfonamide, (NE)-N-[(4-chlorophenyl)-methyl-lambda4-sulfanylidene]-4-methylbenzenesulfonamide, (NE)-N-[(4-chlorophenyl)-methyl-sulfuranylidene]-4-methyl-benzenesulfonamide, 2-(2-amyl-3-keto-cyclopenten-1-yl)acetic acid methyl ester, 2-(3-oxo-2-pentyl-1-cyclopentenyl)acetic acid methyl ester, methyl 2-(3-oxidanylidene-2-pentyl-cyclopenten-1-yl)ethanoate, methyl 2-(3-oxo-2-pentyl-cyclopenten-1-yl)acetate, methyl 2-(3-oxo-2-pentylcyclopenten-1-yl)acetate
Molecular formula C13H20O3, C14H14ClNO2S2
SMILES CC1=CC=C(C=C1)S(=O)(=O)/N=S(\C)/C2=CC=C(C=C2)Cl, CC1=CC=C(C=C1)S(=O)(=O)N=S(C)C2=CC=C(C=C2)Cl, CCCCCC1=C(CCC1=O)CC(=O)OC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 359a2023-c7ac-47a3-b6e9-8a295ca3643f methyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 methyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetate Emissions/Emissions to air/Emissions to air, indoor 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=methyl(3-oxo-2-pentylcyclopent-1-en-1-yl)acetate||dimension=Environmental > media=Air > indoor=Unknown; cas=24863-70-5; added Common Chemistry CAS names as altLabel: 1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester, Dehydrohedione, Methyl (3-oxo-2-pentyl-1-cyclopenten-1-yl)acetate, Methyl 2-pentyl-3-oxo-1-cyclopentenylacetate, Methyl 3-oxo-2-pentyl-1-cyclopentene-1-acetate; object_uuid=fo-316cab7ab9d52ddf
cas_match_labels 1 — consensus_match group_key=methyl(3-oxo-2-pentylcyclopent-1-en-1-yl)acetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'24863-70-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-316cab7ab9d52ddf: {'24863-70-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:24863-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=24863-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dehydrohedione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:24863-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=24863-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl (3-oxo-2-pentyl-1-cyclopenten-1-yl)acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:24863-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=24863-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 2-pentyl-3-oxo-1-cyclopentenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:24863-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=24863-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 3-oxo-2-pentyl-1-cyclopentene-1-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:24863-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=24863-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=methyl(3-oxo-2-pentylcyclopent-1-en-1-yl)acetate||dimension=Environmental > media=Air > indoor=Unknown; cas=24863-70-5; added Common Chemistry CAS names as altLabel: 1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester, Dehydrohedione, Methyl (3-oxo-2-pentyl-1-cyclopenten-1-yl)acetate, Methyl 2-pentyl-3-oxo-1-cyclopentenylacetate, Methyl 3-oxo-2-pentyl-1-cyclopentene-1-acetate; object_uuid=fo-316cab7ab9d52ddf
cas_match_labels None {'24863-70-5': 'exactMatch'} group_key=methyl(3-oxo-2-pentylcyclopent-1-en-1-yl)acetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'24863-70-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-316cab7ab9d52ddf: {'24863-70-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "359a2023-c7ac-47a3-b6e9-8a295ca3643f",
  "name": null,
  "cas_numbers": [
    "24863-70-5"
  ],
  "ec_numbers": [
    "431-410-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "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": 14.684
    },
    {
      "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": 0.000093011
    },
    {
      "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": 0.000093011
    },
    {
      "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": 14.684
    }
  ],
  "source": "EF 3.1",
  "identifier": "359a2023-c7ac-47a3-b6e9-8a295ca3643f",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "359a2023-c7ac-47a3-b6e9-8a295ca3643f",
      "source_flow_name": "methyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetate",
      "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, indoor"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Methyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetate",
      "@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",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-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": [
        "C13H20O3",
        "C14H14ClNO2S2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:90634",
          "CID:6450876"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GJYFXPRHTPSOMM-UHFFFAOYSA-N",
        "LTSWSLYEYFMNFU-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:90634",
          "CID:6450876"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=CC=C(C=C1)S(=O)(=O)/N=S(\\C)/C2=CC=C(C=C2)Cl",
        "CC1=CC=C(C=C1)S(=O)(=O)N=S(C)C2=CC=C(C=C2)Cl",
        "CCCCCC1=C(CCC1=O)CC(=O)OC"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:90634",
          "CID:6450876"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h3-9H2,1-2H3",
        "InChI=1S/C14H14ClNO2S2/c1-11-3-9-14(10-4-11)20(17,18)16-19(2)13-7-5-12(15)6-8-13/h3-10H,1-2H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:90634",
          "CID:6450876"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(NE)-N-[(4-chlorophenyl)-methyl-lambda4-sulfanylidene]-4-methyl-benzenesulfonamide",
        "(NE)-N-[(4-chlorophenyl)-methyl-lambda4-sulfanylidene]-4-methylbenzenesulfonamide",
        "(NE)-N-[(4-chlorophenyl)-methyl-sulfuranylidene]-4-methyl-benzenesulfonamide",
        "2-(2-amyl-3-keto-cyclopenten-1-yl)acetic acid methyl ester",
        "2-(3-oxo-2-pentyl-1-cyclopentenyl)acetic acid methyl ester",
        "methyl 2-(3-oxidanylidene-2-pentyl-cyclopenten-1-yl)ethanoate",
        "methyl 2-(3-oxo-2-pentyl-cyclopenten-1-yl)acetate",
        "methyl 2-(3-oxo-2-pentylcyclopenten-1-yl)acetate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:90634",
          "CID:6450876"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J144.669J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:90634;CAS:24863-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24863-70-5]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J882.807E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6450876;CAS:24863-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24863-70-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.112.109",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:90634;CAS:24863-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24863-70-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=24863-70-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:90634;CAS:24863-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24863-70-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID10179574",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:90634;CAS:24863-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24863-70-5]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=131879",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6450876;CAS:24863-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24863-70-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6450876",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6450876;CAS:24863-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[24863-70-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/90634",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:90634;CAS:24863-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[24863-70-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q83050108",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:90634;CAS:24863-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24863-70-5]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24863-70-5",
          "https://commonchemistry.cas.org/detail?cas_rn=24863-70-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dehydrohedione",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24863-70-5",
          "https://commonchemistry.cas.org/detail?cas_rn=24863-70-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl (3-oxo-2-pentyl-1-cyclopenten-1-yl)acetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24863-70-5",
          "https://commonchemistry.cas.org/detail?cas_rn=24863-70-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl 2-pentyl-3-oxo-1-cyclopentenylacetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24863-70-5",
          "https://commonchemistry.cas.org/detail?cas_rn=24863-70-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl 3-oxo-2-pentyl-1-cyclopentene-1-acetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24863-70-5",
          "https://commonchemistry.cas.org/detail?cas_rn=24863-70-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "24863-70-5": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/359a2023-c7ac-47a3-b6e9-8a295ca3643f",
        "skos:prefLabel": "methyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetate",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/359a2023-c7ac-47a3-b6e9-8a295ca3643f"
      },
      "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-316cab7ab9d52ddf"
}