1,1,3-trichloroacetone

← Back to consensus flows

UUID aa924e13-864a-4dce-8d0e-a86440fb718c

Deprecated yes

Replaced By 1be43592-fc56-4cdd-b683-de42ca195849

Flow Object ID fo-3d12b7de3f6a7b65

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 921-03-9

EC Numbers 213-063-6

prefLabel

Language	Value	Provenance
`en`	`1,1,3-trichloroacetone`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,1,2-Trichloroacetone`
`en`	`1,1,3-Trichloro-2-propanone`
`en`	`2-Propanone, 1,1,3-trichloro-`
`en`	`α,α′,α′-Trichloroacetone`

References

Shared Properties

Predicate	Value
InChIKey	`MQGDQAFIJRAXGI-UHFFFAOYSA-N, ZWILTCXCTVMANU-UHFFFAOYSA-N`
InChI	`InChI=1S/C20H21NO4/c21-11-5-10-17(19(22)23)20(24)25-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-4,6-9,17-18H,5,10-12,21H2,(H,22,23), InChI=1S/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2`
IUPAC name	`1,1,3-trichloro-2-propanone, 1,1,3-trichloroacetone, 1,1,3-trichloropropan-2-one, 1,1,3-tris(chloranyl)propan-2-one, 5-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pentanoic acid, 5-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)valeric acid, 5-amino-2-[9H-fluoren-9-ylmethoxy(oxo)methyl]pentanoic acid, 5-azanyl-2-(9H-fluoren-9-ylmethoxycarbonyl)pentanoic acid`
Molecular formula	`C20H21NO4, C3H3Cl3O`
SMILES	`C(C(=O)C(Cl)Cl)Cl, C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)C(CCCN)C(=O)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`aa924e13-864a-4dce-8d0e-a86440fb718c`	1,1,3-trichloroacetone

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=1,1,3-trichloroacetone\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=921-03-9; added Common Chemistry CAS names as altLabel: 1,1,2-Trichloroacetone, 1,1,3-Trichloro-2-propanone, 2-Propanone, 1,1,3-trichloro-, α,α′,α′-Trichloroacetone; object_uuid=fo-3d12b7de3f6a7b65
`cas_match_labels`	1	`—`	consensus_match	group_key=1,1,3-trichloroacetone\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'921-03-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3d12b7de3f6a7b65: {'921-03-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,1,2-Trichloroacetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:921-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=921-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,1,3-Trichloro-2-propanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:921-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=921-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Propanone, 1,1,3-trichloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:921-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=921-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α,α′,α′-Trichloroacetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:921-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=921-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=1,1,3-trichloroacetone\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=921-03-9; added Common Chemistry CAS names as altLabel: 1,1,2-Trichloroacetone, 1,1,3-Trichloro-2-propanone, 2-Propanone, 1,1,3-trichloro-, α,α′,α′-Trichloroacetone; object_uuid=fo-3d12b7de3f6a7b65
`cas_match_labels`	`None`	`{'921-03-9': 'exactMatch'}`	group_key=1,1,3-trichloroacetone\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'921-03-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3d12b7de3f6a7b65: {'921-03-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "aa924e13-864a-4dce-8d0e-a86440fb718c",
  "name": null,
  "cas_numbers": [
    "921-03-9"
  ],
  "ec_numbers": [
    "213-063-6"
  ],
  "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": 413440.0
    },
    {
      "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": 413440.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "aa924e13-864a-4dce-8d0e-a86440fb718c",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "aa924e13-864a-4dce-8d0e-a86440fb718c",
      "source_flow_name": "1,1,3-trichloroacetone",
      "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 non-agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "1,1,3-trichloroacetone",
      "@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-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": [
        "C20H21NO4",
        "C3H3Cl3O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13530",
          "CID:19765011"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "MQGDQAFIJRAXGI-UHFFFAOYSA-N",
        "ZWILTCXCTVMANU-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13530",
          "CID:19765011"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(C(=O)C(Cl)Cl)Cl",
        "C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)C(CCCN)C(=O)O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13530",
          "CID:19765011"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C20H21NO4/c21-11-5-10-17(19(22)23)20(24)25-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-4,6-9,17-18H,5,10-12,21H2,(H,22,23)",
        "InChI=1S/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13530",
          "CID:19765011"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,1,3-trichloro-2-propanone",
        "1,1,3-trichloroacetone",
        "1,1,3-trichloropropan-2-one",
        "1,1,3-tris(chloranyl)propan-2-one",
        "5-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pentanoic acid",
        "5-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)valeric acid",
        "5-amino-2-[9H-fluoren-9-ylmethoxy(oxo)methyl]pentanoic acid",
        "5-azanyl-2-(9H-fluoren-9-ylmethoxycarbonyl)pentanoic acid"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13530",
          "CID:19765011"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J69.886E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13530;CAS:921-03-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[921-03-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.011.876",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13530;CAS:921-03-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[921-03-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=921-03-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "921-03-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID4021680",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13530;CAS:921-03-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[921-03-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8N0B05BDRQ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13530;CAS:921-03-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[921-03-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/13530",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13530;CAS:921-03-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[921-03-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/19765011",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19765011;CAS:921-03-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[921-03-9]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183118",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13530;CAS:921-03-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[921-03-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27270768",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13530;CAS:921-03-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[921-03-9]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1,2-Trichloroacetone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:921-03-9",
          "https://commonchemistry.cas.org/detail?cas_rn=921-03-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1,3-Trichloro-2-propanone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:921-03-9",
          "https://commonchemistry.cas.org/detail?cas_rn=921-03-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propanone, 1,1,3-trichloro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:921-03-9",
          "https://commonchemistry.cas.org/detail?cas_rn=921-03-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α,α′,α′-Trichloroacetone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:921-03-9",
          "https://commonchemistry.cas.org/detail?cas_rn=921-03-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "921-03-9": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:1be43592-fc56-4cdd-b683-de42ca195849",
  "is_replaced_by_uuid": "1be43592-fc56-4cdd-b683-de42ca195849",
  "flow_object_id": "fo-3d12b7de3f6a7b65"
}