Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate

← Back to consensus flows

Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate

UUID eaed86d9-edb1-4589-8027-6126062497b3

Flow Object ID fo-bc8fd8dfa013cded

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 66423-13-0

EC Numbers 266-358-7

prefLabel

Language	Value	Provenance
`en`	`Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate`

altLabel ⓘ

Language	Value	Provenance
`en`	`B 5`
`en`	`Lanxess B 5`
`en`	`Octyl (2<em>R</em>)-2-(4-chloro-2-methylphenoxy)propanoate`
`en`	`Preventol B 5`
`en`	`Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (2<em>R</em>)-`
`en`	`Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (<em>R</em>)-`
`en`	`Octyl (2r)-2-(4-chloro-2-methylphenoxy)propanoate`

References

Shared Properties

Predicate	Value
InChIKey	`QWQMRXFSCXUHMR-OAHLLOKOSA-N`
InChI	`InChI=1S/C18H27ClO3/c1-4-5-6-7-8-9-12-21-18(20)15(3)22-17-11-10-16(19)13-14(17)2/h10-11,13,15H,4-9,12H2,1-3H3/t15-/m1/s1`
IUPAC name	`(2R)-2-(4-chloro-2-methyl-phenoxy)propionic acid octyl ester, (2R)-2-(4-chloro-2-methylphenoxy)propanoic acid octyl ester, octyl (2R)-2-(4-chloranyl-2-methyl-phenoxy)propanoate, octyl (2R)-2-(4-chloro-2-methyl-phenoxy)propanoate, octyl (2R)-2-(4-chloro-2-methylphenoxy)propanoate`
Molecular formula	`C18H27ClO3`
SMILES	`CCCCCCCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)C, CCCCCCCCOC(=O)[C@@H](C)OC1=C(C=C(C=C1)Cl)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`eaed86d9-edb1-4589-8027-6126062497b3`	octyl (2r)-2-(4-chloro-2-methylphenoxy)propanoate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	octyl (2r)-2-(4-chloro-2-methylphenoxy)propanoate	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	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=octyl(2r)-2-(4-chloro-2-methylphenoxy)propanoate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=66423-13-0; added Common Chemistry CAS names as altLabel: B 5, Lanxess B 5, Octyl (2<em>R</em>)-2-(4-chloro-2-methylphenoxy)propanoate, Preventol B 5, Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (2<em>R</em>)-, Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (<em>R</em>)-; object_uuid=fo-bc8fd8dfa013cded
`cas_match_labels`	1	`—`	consensus_match	group_key=octyl(2r)-2-(4-chloro-2-methylphenoxy)propanoate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'66423-13-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bc8fd8dfa013cded: {'66423-13-0': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': 'B 5', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:66423-13-0', 'https://commonchemistry.cas.org/detail?cas_rn=66423-13-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lanxess B 5', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:66423-13-0', 'https://commonchemistry.cas.org/detail?cas_rn=66423-13-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octyl (2<em>R</em>)-2-(4-chloro-2-methylphenoxy)propanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:66423-13-0', 'https://commonchemistry.cas.org/detail?cas_rn=66423-13-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Preventol B 5', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:66423-13-0', 'https://commonchemistry.cas.org/detail?cas_rn=66423-13-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (2<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:66423-13-0', 'https://commonchemistry.cas.org/detail?cas_rn=66423-13-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:66423-13-0', 'https://commonchemistry.cas.org/detail?cas_rn=66423-13-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=octyl(2r)-2-(4-chloro-2-methylphenoxy)propanoate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=66423-13-0; added Common Chemistry CAS names as altLabel: B 5, Lanxess B 5, Octyl (2<em>R</em>)-2-(4-chloro-2-methylphenoxy)propanoate, Preventol B 5, Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (2<em>R</em>)-, Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (<em>R</em>)-; object_uuid=fo-bc8fd8dfa013cded
`cas_match_labels`	`None`	`{'66423-13-0': 'exactMatch'}`	group_key=octyl(2r)-2-(4-chloro-2-methylphenoxy)propanoate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'66423-13-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bc8fd8dfa013cded: {'66423-13-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "eaed86d9-edb1-4589-8027-6126062497b3",
  "name": null,
  "cas_numbers": [
    "66423-13-0"
  ],
  "ec_numbers": [
    "266-358-7"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "eaed86d9-edb1-4589-8027-6126062497b3",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "eaed86d9-edb1-4589-8027-6126062497b3",
      "source_flow_name": "octyl (2r)-2-(4-chloro-2-methylphenoxy)propanoate",
      "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 (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "CID:6455325"
        ],
        "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-grle-ru10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C18H27ClO3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QWQMRXFSCXUHMR-OAHLLOKOSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)C",
        "CCCCCCCCOC(=O)[C@@H](C)OC1=C(C=C(C=C1)Cl)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C18H27ClO3/c1-4-5-6-7-8-9-12-21-18(20)15(3)22-17-11-10-16(19)13-14(17)2/h10-11,13,15H,4-9,12H2,1-3H3/t15-/m1/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(2R)-2-(4-chloro-2-methyl-phenoxy)propionic acid octyl ester",
        "(2R)-2-(4-chloro-2-methylphenoxy)propanoic acid octyl ester",
        "octyl (2R)-2-(4-chloranyl-2-methyl-phenoxy)propanoate",
        "octyl (2R)-2-(4-chloro-2-methyl-phenoxy)propanoate",
        "octyl (2R)-2-(4-chloro-2-methylphenoxy)propanoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J286.788E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325;CAS:66423-13-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[66423-13-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.060.307",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325;CAS:66423-13-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[66423-13-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325;CAS:66423-13-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[66423-13-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00216644",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325;CAS:66423-13-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[66423-13-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6455325",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325;CAS:66423-13-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[66423-13-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q76390107",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325;CAS:66423-13-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[66423-13-0]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "B 5",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lanxess B 5",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octyl (2<em>R</em>)-2-(4-chloro-2-methylphenoxy)propanoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Preventol B 5",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (2<em>R</em>)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (<em>R</em>)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octyl (2r)-2-(4-chloro-2-methylphenoxy)propanoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "eaed86d9-edb1-4589-8027-6126062497b3"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "66423-13-0": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/eaed86d9-edb1-4589-8027-6126062497b3",
        "skos:prefLabel": "octyl (2r)-2-(4-chloro-2-methylphenoxy)propanoate",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/eaed86d9-edb1-4589-8027-6126062497b3"
      },
      "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-bc8fd8dfa013cded"
}