2-ethylhexyl Chlorocarbonate

← Back to consensus flows

2-ethylhexyl Chlorocarbonate

UUID 58e869bb-7dde-4ed9-bf2e-33e287165a7e

Deprecated yes

Replaced By 243a2fdc-2802-432b-941b-cd7c0736e8ab

Flow Object ID fo-b7ccfbb9bd8301f0

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 24468-13-1

EC Numbers 246-278-9

prefLabel

Language	Value	Provenance
`en`	`2-ethylhexyl Chlorocarbonate`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-Ethylhexyl carbonochloridate`
`en`	`2-Ethylhexyl chloroformate`
`en`	`Carbonochloridic acid, 2-ethylhexyl ester`
`en`	`Chloroformic acid 2-ethylhexyl ester`
`en`	`Formic acid, chloro-, 2-ethylhexyl ester`

References

Shared Properties

Predicate	Value
InChIKey	`MYDHWNYNJFMMON-UHFFFAOYSA-M, RTGLJCSUKOLTEM-UHFFFAOYSA-N`
InChI	`InChI=1S/C9H17ClO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3, InChI=1S/C9H18ClO2/c1-3-5-6-8(4-2)7-10-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)/q-1/p-1`
IUPAC name	`2-ethylhexyl carbonochloridate, 2-ethylhexylchloranuidylformate, 2-ethylhexylchloranuidylmethanoate, carbonochloridic acid 2-ethylhexyl ester, chlorocarbonic acid 2-ethylhexyl ester`
Molecular formula	`C9H17ClO2, C9H17ClO2-2`
SMILES	`CCCCC(CC)COC(=O)Cl, CCCCC(CC)C[Cl-]C(=O)[O-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`58e869bb-7dde-4ed9-bf2e-33e287165a7e`	2-ethylhexyl chlorocarbonate

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-ethylhexylchlorocarbonate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=24468-13-1; added Common Chemistry CAS names as altLabel: 2-Ethylhexyl carbonochloridate, 2-Ethylhexyl chloroformate, Carbonochloridic acid, 2-ethylhexyl ester, Chloroformic acid 2-ethylhexyl ester, Formic acid, chloro-, 2-ethylhexyl ester; object_uuid=fo-b7ccfbb9bd8301f0
`cas_match_labels`	1	`—`	consensus_match	group_key=2-ethylhexylchlorocarbonate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'24468-13-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b7ccfbb9bd8301f0: {'24468-13-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-Ethylhexyl carbonochloridate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:24468-13-1', 'https://commonchemistry.cas.org/detail?cas_rn=24468-13-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Ethylhexyl chloroformate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:24468-13-1', 'https://commonchemistry.cas.org/detail?cas_rn=24468-13-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Carbonochloridic acid, 2-ethylhexyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:24468-13-1', 'https://commonchemistry.cas.org/detail?cas_rn=24468-13-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chloroformic acid 2-ethylhexyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:24468-13-1', 'https://commonchemistry.cas.org/detail?cas_rn=24468-13-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Formic acid, chloro-, 2-ethylhexyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:24468-13-1', 'https://commonchemistry.cas.org/detail?cas_rn=24468-13-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2-ethylhexylchlorocarbonate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=24468-13-1; added Common Chemistry CAS names as altLabel: 2-Ethylhexyl carbonochloridate, 2-Ethylhexyl chloroformate, Carbonochloridic acid, 2-ethylhexyl ester, Chloroformic acid 2-ethylhexyl ester, Formic acid, chloro-, 2-ethylhexyl ester; object_uuid=fo-b7ccfbb9bd8301f0
`cas_match_labels`	`None`	`{'24468-13-1': 'exactMatch'}`	group_key=2-ethylhexylchlorocarbonate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'24468-13-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b7ccfbb9bd8301f0: {'24468-13-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "58e869bb-7dde-4ed9-bf2e-33e287165a7e",
  "name": null,
  "cas_numbers": [
    "24468-13-1"
  ],
  "ec_numbers": [
    "246-278-9"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "58e869bb-7dde-4ed9-bf2e-33e287165a7e",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "58e869bb-7dde-4ed9-bf2e-33e287165a7e",
      "source_flow_name": "2-ethylhexyl chlorocarbonate",
      "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 water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2-ethylhexyl Chlorocarbonate",
      "@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-wate-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": [
        "C9H17ClO2",
        "C9H17ClO2-2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62783",
          "CID:53400667"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "MYDHWNYNJFMMON-UHFFFAOYSA-M",
        "RTGLJCSUKOLTEM-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62783",
          "CID:53400667"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCC(CC)COC(=O)Cl",
        "CCCCC(CC)C[Cl-]C(=O)[O-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62783",
          "CID:53400667"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C9H17ClO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3",
        "InChI=1S/C9H18ClO2/c1-3-5-6-8(4-2)7-10-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)/q-1/p-1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62783",
          "CID:53400667"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-ethylhexyl carbonochloridate",
        "2-ethylhexylchloranuidylformate",
        "2-ethylhexylchloranuidylmethanoate",
        "carbonochloridic acid 2-ethylhexyl ester",
        "chlorocarbonic acid 2-ethylhexyl ester"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62783",
          "CID:53400667"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J56.136C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62783;CAS:24468-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24468-13-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.042.056",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62783;CAS:24468-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24468-13-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=24468-13-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "24468-13-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID2027832",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62783;CAS:24468-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24468-13-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8GNA16Q81R",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62783;CAS:24468-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24468-13-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/53400667",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:53400667;CAS:24468-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[24468-13-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/62783",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62783;CAS:24468-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[24468-13-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2748",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62783;CAS:24468-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24468-13-1]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1880924",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62783;CAS:24468-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24468-13-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q22829163",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:62783;CAS:24468-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24468-13-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethylhexyl carbonochloridate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24468-13-1",
          "https://commonchemistry.cas.org/detail?cas_rn=24468-13-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Ethylhexyl chloroformate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24468-13-1",
          "https://commonchemistry.cas.org/detail?cas_rn=24468-13-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbonochloridic acid, 2-ethylhexyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24468-13-1",
          "https://commonchemistry.cas.org/detail?cas_rn=24468-13-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chloroformic acid 2-ethylhexyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24468-13-1",
          "https://commonchemistry.cas.org/detail?cas_rn=24468-13-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Formic acid, chloro-, 2-ethylhexyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24468-13-1",
          "https://commonchemistry.cas.org/detail?cas_rn=24468-13-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "24468-13-1": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:243a2fdc-2802-432b-941b-cd7c0736e8ab",
  "is_replaced_by_uuid": "243a2fdc-2802-432b-941b-cd7c0736e8ab",
  "flow_object_id": "fo-b7ccfbb9bd8301f0"
}