← Back to consensus flows

Isovaleryl chloride

UUID b8883bdb-5014-4edf-a4cc-3957b6bdefa0
Flow Object IDfo-2104412beb8f8907
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 108-12-3
EC Numbers 203-552-2
prefLabel
Language Value Provenance
en Isovaleryl chloride
altLabel ⓘ
Language Value Provenance
en 3-Methylbutyryl chloride
en Butanoyl chloride, 3-methyl-
en Isopentanoyl chloride
en Isovaleric acid chloride
en Isovaleric chloride
en Isovaleroyl chloride
en 3-methylbutanoyl Chloride
References
Shared Properties
Predicate Value
InChIKey ISULZYQDGYXDFW-UHFFFAOYSA-N
InChI InChI=1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3
IUPAC name 3-methylbutanoyl chloride, 3-methylbutyryl chloride
Molecular formula C5H9ClO
SMILES CC(C)CC(=O)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 b8883bdb-5014-4edf-a4cc-3957b6bdefa0 3-methylbutanoyl chloride

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3-methylbutanoyl chloride Emissions/Emissions to air/Emissions to non-urban air or from high stacks 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-methylbutanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=108-12-3; added Common Chemistry CAS names as altLabel: 3-Methylbutyryl chloride, Butanoyl chloride, 3-methyl-, Isopentanoyl chloride, Isovaleric acid chloride, Isovaleric chloride, Isovaleroyl chloride, Isovaleryl chloride; object_uuid=fo-2104412beb8f8907
cas_match_labels 1 — consensus_match group_key=3-methylbutanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-12-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2104412beb8f8907: {'108-12-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '3-Methylbutyryl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-12-3', 'https://commonchemistry.cas.org/detail?cas_rn=108-12-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoyl chloride, 3-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-12-3', 'https://commonchemistry.cas.org/detail?cas_rn=108-12-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isopentanoyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-12-3', 'https://commonchemistry.cas.org/detail?cas_rn=108-12-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isovaleric acid chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-12-3', 'https://commonchemistry.cas.org/detail?cas_rn=108-12-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isovaleric chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-12-3', 'https://commonchemistry.cas.org/detail?cas_rn=108-12-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isovaleroyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-12-3', 'https://commonchemistry.cas.org/detail?cas_rn=108-12-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isovaleryl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-12-3', 'https://commonchemistry.cas.org/detail?cas_rn=108-12-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-methylbutanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=108-12-3; added Common Chemistry CAS names as altLabel: 3-Methylbutyryl chloride, Butanoyl chloride, 3-methyl-, Isopentanoyl chloride, Isovaleric acid chloride, Isovaleric chloride, Isovaleroyl chloride, Isovaleryl chloride; object_uuid=fo-2104412beb8f8907
cas_match_labels None {'108-12-3': 'exactMatch'} group_key=3-methylbutanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-12-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2104412beb8f8907: {'108-12-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "b8883bdb-5014-4edf-a4cc-3957b6bdefa0",
  "name": null,
  "cas_numbers": [
    "108-12-3"
  ],
  "ec_numbers": [
    "203-552-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "High stack, >150 meters"
  },
  "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": 12.826
    },
    {
      "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": 12.826
    }
  ],
  "source": "EF 3.1",
  "identifier": "b8883bdb-5014-4edf-a4cc-3957b6bdefa0",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "b8883bdb-5014-4edf-a4cc-3957b6bdefa0",
      "source_flow_name": "3-methylbutanoyl chloride",
      "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 non-urban air or from high stacks"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Isovaleryl chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:108-12-3",
          "CID:66054"
        ],
        "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-hist15me",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C5H9ClO"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66054"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ISULZYQDGYXDFW-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66054"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)CC(=O)Cl"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66054"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66054"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-methylbutanoyl chloride",
        "3-methylbutyryl chloride"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66054"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J134.568K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66054;CAS:108-12-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-12-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.003.230",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66054;CAS:108-12-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-12-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=108-12-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "108-12-3"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID7059359",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66054;CAS:108-12-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-12-3]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J2ML32M57V",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66054;CAS:108-12-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-12-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/66054",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66054;CAS:108-12-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[108-12-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27281067",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66054;CAS:108-12-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-12-3]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-Methylbutyryl chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:108-12-3",
          "https://commonchemistry.cas.org/detail?cas_rn=108-12-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanoyl chloride, 3-methyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:108-12-3",
          "https://commonchemistry.cas.org/detail?cas_rn=108-12-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isopentanoyl chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:108-12-3",
          "https://commonchemistry.cas.org/detail?cas_rn=108-12-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isovaleric acid chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:108-12-3",
          "https://commonchemistry.cas.org/detail?cas_rn=108-12-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isovaleric chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:108-12-3",
          "https://commonchemistry.cas.org/detail?cas_rn=108-12-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isovaleroyl chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:108-12-3",
          "https://commonchemistry.cas.org/detail?cas_rn=108-12-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-methylbutanoyl Chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "b8883bdb-5014-4edf-a4cc-3957b6bdefa0"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "108-12-3": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/b8883bdb-5014-4edf-a4cc-3957b6bdefa0",
        "skos:prefLabel": "3-methylbutanoyl chloride",
        "context": "Emissions/Emissions to air/Emissions to non-urban air or from high stacks",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/b8883bdb-5014-4edf-a4cc-3957b6bdefa0"
      },
      "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-2104412beb8f8907"
}