Butoxypropyl Acetate

Substance: fo-80f818269478f045 Neutral molecule
Source: EF 3.1
Unit: kg
Context: Environmental → Water → Ocean
CAS: 85409-76-3
EC: 287-147-6
Dimension: Environmental
Media: Water
Water body: Ocean
(2-Butoxy-1-methyl-ethyl)acetate
1-Butoxy-2-propanol acetate
1-Butoxy-2-propyl acetate
1-Butoxypropan-2-yl acetate
2-Propanol, 1-butoxy-, 2-acetate
2-Propanol, 1-butoxy-, acetate
List	Version	Source flow	Name there	Why this flow
EF	3.1	fe0acd60-3ddc-11dd-a5a7-0050c2490048	butoxypropyl acetate	The consensus list is built from this one, so this row is the flow itself rather than something matched to it.
Source list	Source flow	Name there	Compartment there	Match	Conversion
EF 3.1	fe0acd60-3ddc-11dd-a5a7-0050c2490048	butoxypropyl acetate	Emissions/Emissions to water/Emissions to sea water	exactMatch	—
The change log and the PROV-O trail (2 consensus changes)
Open the changes page
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Flow JSON
{
  "altLabel": [
    {
      "@value": "(2-Butoxy-1-methyl-ethyl)acetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:85409-76-3",
          "https://commonchemistry.cas.org/detail?cas_rn=85409-76-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Butoxy-2-propanol acetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:85409-76-3",
          "https://commonchemistry.cas.org/detail?cas_rn=85409-76-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Butoxy-2-propyl acetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:85409-76-3",
          "https://commonchemistry.cas.org/detail?cas_rn=85409-76-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Butoxypropan-2-yl acetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:85409-76-3",
          "https://commonchemistry.cas.org/detail?cas_rn=85409-76-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propanol, 1-butoxy-, 2-acetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:85409-76-3",
          "https://commonchemistry.cas.org/detail?cas_rn=85409-76-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propanol, 1-butoxy-, acetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:85409-76-3",
          "https://commonchemistry.cas.org/detail?cas_rn=85409-76-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H18O3"
      ],
      "attested_by": {
        "C9H18O3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:537309"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCC(C)OC(C)=O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FUWDFGKRNIDKAE-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "FUWDFGKRNIDKAE-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:537309"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCC(C)OC(C)=O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCOCC(C)OC(C)=O"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "(2-Butoxy-1-methyl-ethyl)acetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCC(C)OC(C)=O"
          ]
        }
      ],
      "attested_by": {
        "CCCCOCC(C)OC(C)=O": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C9H18O3/c1-4-5-6-11-7-8(2)12-9(3)10/h8H,4-7H2,1-3H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "(2-Butoxy-1-methyl-ethyl)acetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCC(C)OC(C)=O"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C9H18O3/c1-4-5-6-11-7-8(2)12-9(3)10/h8H,4-7H2,1-3H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "(2-Butoxy-1-methyl-ethyl)acetate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "(2-Butoxy-1-methyl-ethyl)acetate"
        ]
      },
      "attested_by": {
        "(2-Butoxy-1-methyl-ethyl)acetate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        174.24
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCC(C)OC(=O)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCC(C)OC(C)=O"
          ]
        }
      ],
      "attested_by": {
        "174.24": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        174.125594
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCC(C)OC(=O)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCC(C)OC(C)=O"
          ]
        }
      ],
      "attested_by": {
        "174.125594": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.098I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:537309;CAS:85409-76-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[85409-76-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.079.197",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:537309;CAS:85409-76-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[85409-76-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=85409-76-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:537309;CAS:85409-76-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[85409-76-3]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID201005908",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:537309;CAS:85409-76-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[85409-76-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/537309",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:537309;CAS:85409-76-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[85409-76-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q83001461",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:537309;CAS:85409-76-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[85409-76-3]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Butoxypropyl Acetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "fe0acd60-3ddc-11dd-a5a7-0050c2490048",
  "identifier": "fe0acd60-3ddc-11dd-a5a7-0050c2490048",
  "source": "EF 3.1",
  "cas_numbers": [
    "85409-76-3"
  ],
  "ec_numbers": [
    "287-147-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-ocea",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-80f818269478f045",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-11dd-a5a7-0050c2490048",
        "skos:prefLabel": "butoxypropyl acetate",
        "context": "Emissions/Emissions to water/Emissions to sea water",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a5a7-0050c2490048"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a5a7-0050c2490048"
      },
      "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"
        ]
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "ec_numbers": "ec_cross_check",
    "properties": "normalise_property_values",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "85409-76-3": "exactMatch"
  },
  "general_comment": "Correct mapping CAS and flow to be verfied, though probably correct. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "_transformed": true,
  "_provided": {
    "name": "butoxypropyl acetate",
    "synonyms": [
      "1-Butoxy-2-propanol acetate",
      "1-butoxypropan-2-yl acetate",
      "2-Butoxy-1-methylethyl acetate",
      "AC1LBKBL",
      "AC1Q5YBZ"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to sea water"
    ],
    "cas_numbers": [
      "85409-76-3"
    ],
    "ec_numbers": [],
    "unit": "kg"
  }
}
Butoxypropyl Acetate

Identity

Context

Alternative labels

Source lists

Concept associations

History

Full record

Keyboard
