3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one

← Back to consensus flows

3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one

UUID 0dbd4e93-3225-46a9-923d-a2dfb04d7167

Flow Object ID fo-2419e3e3c66b46e1

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 67801-15-4

EC Numbers 267-135-7

prefLabel

Language	Value	Provenance
`en`	`3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one`

altLabel ⓘ

Language	Value	Provenance
`en`	`3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-one`
`en`	`4-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-`

References

Shared Properties

Predicate	Value
InChIKey	`WPDAGRUACGXJJP-SOFGYWHQSA-N, WPDAGRUACGXJJP-UHFFFAOYSA-N, WPDAGRUACGXJJP-VURMDHGXSA-N`
InChI	`InChI=1S/C14H22O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,13H,9H2,1-5H3, InChI=1S/C14H22O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,13H,9H2,1-5H3/b8-6+, InChI=1S/C14H22O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,13H,9H2,1-5H3/b8-6-`
IUPAC name	`(E)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)-4-penten-2-one, (E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one, (Z)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)-4-penten-2-one, (Z)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one, 3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)-4-penten-2-one, 3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one`
Molecular formula	`C14H22O`
SMILES	`CC1=CCC(C1(C)C)/C=C/C(C)C(=O)C, CC1=CCC(C1(C)C)/C=C\C(C)C(=O)C, CC1=CCC(C1(C)C)C=CC(C)C(=O)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`0dbd4e93-3225-46a9-923d-a2dfb04d7167`	3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one	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=3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=67801-15-4; added Common Chemistry CAS names as altLabel: 3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-one, 4-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-; object_uuid=fo-2419e3e3c66b46e1
`cas_match_labels`	1	`—`	consensus_match	group_key=3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67801-15-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2419e3e3c66b46e1: {'67801-15-4': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67801-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=67801-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67801-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=67801-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=67801-15-4; added Common Chemistry CAS names as altLabel: 3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-one, 4-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-; object_uuid=fo-2419e3e3c66b46e1
`cas_match_labels`	`None`	`{'67801-15-4': 'exactMatch'}`	group_key=3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67801-15-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2419e3e3c66b46e1: {'67801-15-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "0dbd4e93-3225-46a9-923d-a2dfb04d7167",
  "name": null,
  "cas_numbers": [
    "67801-15-4"
  ],
  "ec_numbers": [
    "267-135-7"
  ],
  "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": 3.1288
    },
    {
      "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": 3.1288
    }
  ],
  "source": "EF 3.1",
  "identifier": "0dbd4e93-3225-46a9-923d-a2dfb04d7167",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "0dbd4e93-3225-46a9-923d-a2dfb04d7167",
      "source_flow_name": "3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one",
      "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": "3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "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-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": [
        "C14H22O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106810",
          "CID:6437264",
          "CID:6504498"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "WPDAGRUACGXJJP-SOFGYWHQSA-N",
        "WPDAGRUACGXJJP-UHFFFAOYSA-N",
        "WPDAGRUACGXJJP-VURMDHGXSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106810",
          "CID:6437264",
          "CID:6504498"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=CCC(C1(C)C)/C=C/C(C)C(=O)C",
        "CC1=CCC(C1(C)C)/C=C\\C(C)C(=O)C",
        "CC1=CCC(C1(C)C)C=CC(C)C(=O)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106810",
          "CID:6437264",
          "CID:6504498"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C14H22O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,13H,9H2,1-5H3",
        "InChI=1S/C14H22O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,13H,9H2,1-5H3/b8-6+",
        "InChI=1S/C14H22O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,13H,9H2,1-5H3/b8-6-"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106810",
          "CID:6437264",
          "CID:6504498"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(E)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)-4-penten-2-one",
        "(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one",
        "(Z)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)-4-penten-2-one",
        "(Z)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one",
        "3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)-4-penten-2-one",
        "3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106810",
          "CID:6437264",
          "CID:6504498"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J317.142F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6504498;CAS:67801-15-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[67801-15-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.061.014",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6437264;CAS:67801-15-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[67801-15-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=67801-15-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106810;CAS:67801-15-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[67801-15-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID40886901",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106810;CAS:67801-15-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[67801-15-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/106810",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106810;CAS:67801-15-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[67801-15-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6437264",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6437264;CAS:67801-15-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[67801-15-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6504498",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6504498;CAS:67801-15-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[67801-15-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82865856",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106810;CAS:67801-15-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[67801-15-4]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-one",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:67801-15-4",
          "https://commonchemistry.cas.org/detail?cas_rn=67801-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:67801-15-4",
          "https://commonchemistry.cas.org/detail?cas_rn=67801-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "67801-15-4": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/0dbd4e93-3225-46a9-923d-a2dfb04d7167",
        "skos:prefLabel": "3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/0dbd4e93-3225-46a9-923d-a2dfb04d7167"
      },
      "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-2419e3e3c66b46e1"
}