← Back to consensus flows

2-ethylhexyl 2-hydroxypropanoate

UUID fbee8912-8baf-4802-9736-cec99eabadd0
Flow Object IDfo-412602729b8a5e4d
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 6283-86-9
EC Numbers 228-503-2
prefLabel
Language Value Provenance
en 2-ethylhexyl 2-hydroxypropanoate
altLabel ⓘ
Language Value Provenance
en 2-Ethyl-1-hexanol lactate
en 2-Ethyl-1-hexyl 2-hydroxypropanoate
en 2-Ethylhexyl lactate
en Lactic acid, 2-ethylhexyl ester
en NSC 7737
en Propanoic acid, 2-hydroxy-, 2-ethylhexyl ester
References
Shared Properties
Predicate Value
InChIKey FECDACOUYKFOOP-UHFFFAOYSA-N, IAGITRULIIJKKS-UHFFFAOYSA-N
InChI InChI=1S/C11H22O3/c1-4-6-7-10(5-2)8-14-11(13)9(3)12/h9-10,12H,4-8H2,1-3H3, InChI=1S/C9H13N5O2/c1-4-10-8-11-5-6(12-8)13(2)9(16)14(3)7(5)15/h4H2,1-3H3,(H2,10,11,12)
IUPAC name 2-ethylhexyl 2-hydroxypropanoate, 2-ethylhexyl 2-oxidanylpropanoate, 2-hydroxypropanoic acid 2-ethylhexyl ester, 2-hydroxypropionic acid 2-ethylhexyl ester, 8-(ethylamino)-1,3-dimethyl-7H-purine-2,6-dione, 8-(ethylamino)-1,3-dimethyl-7H-purine-2,6-quinone
Molecular formula C11H22O3, C9H13N5O2
SMILES CCCCC(CC)COC(=O)C(C)O, CCNC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fbee8912-8baf-4802-9736-cec99eabadd0 2-ethylhexyl 2-hydroxypropanoate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-ethylhexyl 2-hydroxypropanoate Emissions/Emissions to air/Emissions to air, unspecified 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-ethylhexyl2-hydroxypropanoate||dimension=Environmental > media=Water > water_body=Ocean; cas=6283-86-9; added Common Chemistry CAS names as altLabel: 2-Ethyl-1-hexanol lactate, 2-Ethyl-1-hexyl 2-hydroxypropanoate, 2-Ethylhexyl lactate, Lactic acid, 2-ethylhexyl ester, NSC 7737, Propanoic acid, 2-hydroxy-, 2-ethylhexyl ester; object_uuid=fo-412602729b8a5e4d
cas_match_labels 1 — consensus_match group_key=2-ethylhexyl2-hydroxypropanoate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6283-86-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-412602729b8a5e4d: {'6283-86-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Ethyl-1-hexanol lactate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6283-86-9', 'https://commonchemistry.cas.org/detail?cas_rn=6283-86-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Ethyl-1-hexyl 2-hydroxypropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6283-86-9', 'https://commonchemistry.cas.org/detail?cas_rn=6283-86-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Ethylhexyl lactate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6283-86-9', 'https://commonchemistry.cas.org/detail?cas_rn=6283-86-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lactic acid, 2-ethylhexyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6283-86-9', 'https://commonchemistry.cas.org/detail?cas_rn=6283-86-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 7737', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6283-86-9', 'https://commonchemistry.cas.org/detail?cas_rn=6283-86-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-hydroxy-, 2-ethylhexyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6283-86-9', 'https://commonchemistry.cas.org/detail?cas_rn=6283-86-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-ethylhexyl2-hydroxypropanoate||dimension=Environmental > media=Water > water_body=Ocean; cas=6283-86-9; added Common Chemistry CAS names as altLabel: 2-Ethyl-1-hexanol lactate, 2-Ethyl-1-hexyl 2-hydroxypropanoate, 2-Ethylhexyl lactate, Lactic acid, 2-ethylhexyl ester, NSC 7737, Propanoic acid, 2-hydroxy-, 2-ethylhexyl ester; object_uuid=fo-412602729b8a5e4d
cas_match_labels None {'6283-86-9': 'exactMatch'} group_key=2-ethylhexyl2-hydroxypropanoate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6283-86-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-412602729b8a5e4d: {'6283-86-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "fbee8912-8baf-4802-9736-cec99eabadd0",
  "name": null,
  "cas_numbers": [
    "6283-86-9"
  ],
  "ec_numbers": [
    "228-503-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "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": 160.34
    },
    {
      "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": 160.34
    }
  ],
  "source": "EF 3.1",
  "identifier": "fbee8912-8baf-4802-9736-cec99eabadd0",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "fbee8912-8baf-4802-9736-cec99eabadd0",
      "source_flow_name": "2-ethylhexyl 2-hydroxypropanoate",
      "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"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2-ethylhexyl 2-hydroxypropanoate",
      "@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-air-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": [
        "C11H22O3",
        "C9H13N5O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93026",
          "CID:225043"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FECDACOUYKFOOP-UHFFFAOYSA-N",
        "IAGITRULIIJKKS-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93026",
          "CID:225043"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCC(CC)COC(=O)C(C)O",
        "CCNC1=NC2=C(N1)C(=O)N(C(=O)N2C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93026",
          "CID:225043"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C11H22O3/c1-4-6-7-10(5-2)8-14-11(13)9(3)12/h9-10,12H,4-8H2,1-3H3",
        "InChI=1S/C9H13N5O2/c1-4-10-8-11-5-6(12-8)13(2)9(16)14(3)7(5)15/h4H2,1-3H3,(H2,10,11,12)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93026",
          "CID:225043"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-ethylhexyl 2-hydroxypropanoate",
        "2-ethylhexyl 2-oxidanylpropanoate",
        "2-hydroxypropanoic acid 2-ethylhexyl ester",
        "2-hydroxypropionic acid 2-ethylhexyl ester",
        "8-(ethylamino)-1,3-dimethyl-7H-purine-2,6-dione",
        "8-(ethylamino)-1,3-dimethyl-7H-purine-2,6-quinone"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93026",
          "CID:225043"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J206.843E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93026;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6283-86-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.025.913",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93026;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6283-86-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=5426-46-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:225043;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6283-86-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=6283-86-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93026;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6283-86-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00279774",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:225043;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6283-86-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID4042333",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93026;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6283-86-9]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=14106",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:225043;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6283-86-9]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7737",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93026;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6283-86-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V7GY6603OJ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93026;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6283-86-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/225043",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:225043;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[6283-86-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/93026",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93026;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[6283-86-9]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4513404",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:225043;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6283-86-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27291634",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93026;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6283-86-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82012591",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:225043;CAS:6283-86-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6283-86-9]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethyl-1-hexanol lactate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6283-86-9",
          "https://commonchemistry.cas.org/detail?cas_rn=6283-86-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Ethyl-1-hexyl 2-hydroxypropanoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6283-86-9",
          "https://commonchemistry.cas.org/detail?cas_rn=6283-86-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Ethylhexyl lactate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6283-86-9",
          "https://commonchemistry.cas.org/detail?cas_rn=6283-86-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lactic acid, 2-ethylhexyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6283-86-9",
          "https://commonchemistry.cas.org/detail?cas_rn=6283-86-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 7737",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6283-86-9",
          "https://commonchemistry.cas.org/detail?cas_rn=6283-86-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, 2-hydroxy-, 2-ethylhexyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6283-86-9",
          "https://commonchemistry.cas.org/detail?cas_rn=6283-86-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "6283-86-9": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/fbee8912-8baf-4802-9736-cec99eabadd0",
        "skos:prefLabel": "2-ethylhexyl 2-hydroxypropanoate",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/fbee8912-8baf-4802-9736-cec99eabadd0"
      },
      "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-412602729b8a5e4d"
}