2-(2,4-dichlorophenoxy)propanoic Acid, Isooctyl Ester

← Back to consensus flows

2-(2,4-dichlorophenoxy)propanoic Acid, Isooctyl Ester

UUID fe0acd60-3ddc-11dd-aceb-0050c2490048

Flow Object ID fo-9460d3ec01c1765f

Source EF 3.1

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

CAS Numbers 28631-35-8

EC Numbers 249-110-2

prefLabel

Language	Value	Provenance
`en`	`2-(2,4-dichlorophenoxy)propanoic Acid, Isooctyl Ester`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-(2,4-Dichlorophenoxy)propionic acid isooctyl ester`
`en`	`Dichlorprop isooctyl ester`
`en`	`Dichlorprop-isoctyl`
`en`	`Isooctyl 2-(2,4-dichlorophenoxy)propionate`
`en`	`Propanoic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester`
`en`	`Propionic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester`

References

Shared Properties

Predicate	Value
InChIKey	`OAKNYWMOJIXXDI-UHFFFAOYSA-N, RQRUQMZZBOQUNB-UHFFFAOYSA-N`
InChI	`InChI=1S/C17H24Cl2O3/c1-12(2)7-5-4-6-10-21-17(20)13(3)22-16-9-8-14(18)11-15(16)19/h8-9,11-13H,4-7,10H2,1-3H3, InChI=1S/C17H24Cl2O3/c1-4-5-6-7-8-12(2)21-17(20)13(3)22-16-10-9-14(18)11-15(16)19/h9-13H,4-8H2,1-3H3`
IUPAC name	`1-methylheptyl 2-(2,4-dichlorophenoxy)propanoate, 2-(2,4-dichlorophenoxy)propanoic acid 6-methylheptyl ester, 2-(2,4-dichlorophenoxy)propanoic acid octan-2-yl ester, 2-(2,4-dichlorophenoxy)propionic acid 1-methylheptyl ester, 2-(2,4-dichlorophenoxy)propionic acid 6-methylheptyl ester, 6-methylheptyl 2-(2,4-dichlorophenoxy)propanoate, 6-methylheptyl 2-[2,4-bis(chloranyl)phenoxy]propanoate, octan-2-yl 2-(2,4-dichlorophenoxy)propanoate, octan-2-yl 2-[2,4-bis(chloranyl)phenoxy]propanoate`
Molecular formula	`C17H24Cl2O3`
SMILES	`CC(C)CCCCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl, CCCCCCC(C)OC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fe0acd60-3ddc-11dd-aceb-0050c2490048`	2-(2,4-dichlorophenoxy)propanoic acid, isooctyl ester

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2-(2,4-dichlorophenoxy)propanoic acid, isooctyl ester	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=2-(2,4-dichlorophenoxy)propanoicacid,isooctylester\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=28631-35-8; added Common Chemistry CAS names as altLabel: 2-(2,4-Dichlorophenoxy)propionic acid isooctyl ester, Dichlorprop isooctyl ester, Dichlorprop-isoctyl, Isooctyl 2-(2,4-dichlorophenoxy)propionate, Propanoic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester, Propionic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester; object_uuid=fo-9460d3ec01c1765f
`cas_match_labels`	1	`—`	consensus_match	group_key=2-(2,4-dichlorophenoxy)propanoicacid,isooctylester\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'28631-35-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-9460d3ec01c1765f: {'28631-35-8': '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': '2-(2,4-Dichlorophenoxy)propionic acid isooctyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28631-35-8', 'https://commonchemistry.cas.org/detail?cas_rn=28631-35-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dichlorprop isooctyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28631-35-8', 'https://commonchemistry.cas.org/detail?cas_rn=28631-35-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dichlorprop-isoctyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28631-35-8', 'https://commonchemistry.cas.org/detail?cas_rn=28631-35-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isooctyl 2-(2,4-dichlorophenoxy)propionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28631-35-8', 'https://commonchemistry.cas.org/detail?cas_rn=28631-35-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28631-35-8', 'https://commonchemistry.cas.org/detail?cas_rn=28631-35-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propionic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28631-35-8', 'https://commonchemistry.cas.org/detail?cas_rn=28631-35-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2-(2,4-dichlorophenoxy)propanoicacid,isooctylester\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=28631-35-8; added Common Chemistry CAS names as altLabel: 2-(2,4-Dichlorophenoxy)propionic acid isooctyl ester, Dichlorprop isooctyl ester, Dichlorprop-isoctyl, Isooctyl 2-(2,4-dichlorophenoxy)propionate, Propanoic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester, Propionic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester; object_uuid=fo-9460d3ec01c1765f
`cas_match_labels`	`None`	`{'28631-35-8': 'exactMatch'}`	group_key=2-(2,4-dichlorophenoxy)propanoicacid,isooctylester\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'28631-35-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-9460d3ec01c1765f: {'28631-35-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "fe0acd60-3ddc-11dd-aceb-0050c2490048",
  "name": null,
  "cas_numbers": [
    "28631-35-8"
  ],
  "ec_numbers": [
    "249-110-2"
  ],
  "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": "fe0acd60-3ddc-11dd-aceb-0050c2490048",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "fe0acd60-3ddc-11dd-aceb-0050c2490048",
      "source_flow_name": "2-(2,4-dichlorophenoxy)propanoic acid, isooctyl ester",
      "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": "2-(2,4-dichlorophenoxy)propanoic Acid, Isooctyl Ester",
      "@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-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": [
        "C17H24Cl2O3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62834",
          "CID:15754796"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "OAKNYWMOJIXXDI-UHFFFAOYSA-N",
        "RQRUQMZZBOQUNB-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62834",
          "CID:15754796"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)CCCCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl",
        "CCCCCCC(C)OC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62834",
          "CID:15754796"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C17H24Cl2O3/c1-12(2)7-5-4-6-10-21-17(20)13(3)22-16-9-8-14(18)11-15(16)19/h8-9,11-13H,4-7,10H2,1-3H3",
        "InChI=1S/C17H24Cl2O3/c1-4-5-6-7-8-12(2)21-17(20)13(3)22-16-10-9-14(18)11-15(16)19/h9-13H,4-8H2,1-3H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62834",
          "CID:15754796"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-methylheptyl 2-(2,4-dichlorophenoxy)propanoate",
        "2-(2,4-dichlorophenoxy)propanoic acid 6-methylheptyl ester",
        "2-(2,4-dichlorophenoxy)propanoic acid octan-2-yl ester",
        "2-(2,4-dichlorophenoxy)propionic acid 1-methylheptyl ester",
        "2-(2,4-dichlorophenoxy)propionic acid 6-methylheptyl ester",
        "6-methylheptyl 2-(2,4-dichlorophenoxy)propanoate",
        "6-methylheptyl 2-[2,4-bis(chloranyl)phenoxy]propanoate",
        "octan-2-yl 2-(2,4-dichlorophenoxy)propanoate",
        "octan-2-yl 2-[2,4-bis(chloranyl)phenoxy]propanoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62834",
          "CID:15754796"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.044.631",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62834;CAS:28631-35-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28631-35-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=28631-35-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62834;CAS:28631-35-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28631-35-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BU3023E6KH",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15754796;CAS:28631-35-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28631-35-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/15754796",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15754796;CAS:28631-35-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[28631-35-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/62834",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62834;CAS:28631-35-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[28631-35-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27274883",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15754796;CAS:28631-35-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28631-35-8]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(2,4-Dichlorophenoxy)propionic acid isooctyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28631-35-8",
          "https://commonchemistry.cas.org/detail?cas_rn=28631-35-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dichlorprop isooctyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28631-35-8",
          "https://commonchemistry.cas.org/detail?cas_rn=28631-35-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dichlorprop-isoctyl",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28631-35-8",
          "https://commonchemistry.cas.org/detail?cas_rn=28631-35-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isooctyl 2-(2,4-dichlorophenoxy)propionate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28631-35-8",
          "https://commonchemistry.cas.org/detail?cas_rn=28631-35-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28631-35-8",
          "https://commonchemistry.cas.org/detail?cas_rn=28631-35-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propionic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28631-35-8",
          "https://commonchemistry.cas.org/detail?cas_rn=28631-35-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "28631-35-8": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-11dd-aceb-0050c2490048",
        "skos:prefLabel": "2-(2,4-dichlorophenoxy)propanoic acid, isooctyl ester",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-aceb-0050c2490048"
      },
      "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-9460d3ec01c1765f"
}