Tetrabutylurea

← Back to consensus flows

UUID 3ef64372-8355-42bc-8a72-cb0f2264dcf3

Flow Object ID fo-6386e8b90a0d3353

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 4559-86-8

EC Numbers 224-929-8

prefLabel

Language	Value	Provenance
`en`	`Tetrabutylurea`

altLabel ⓘ

Language	Value	Provenance
`en`	`<em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-Tetrabutylurea`
`en`	`NSC 3892`
`en`	`Urea, 1,1,3,3-tetrabutyl-`
`en`	`Urea, <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-tetrabutyl-`
`en`	`Urea, tetrabutyl-`
`en`	`1,1,3,3-tetrabutylurea`

References

Shared Properties

Predicate	Value
InChIKey	`SNDGLCYYBKJSOT-UHFFFAOYSA-N`
InChI	`InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3`
IUPAC name	`1,1,3,3-tetrabutylurea`
Molecular formula	`C17H36N2O`
SMILES	`CCCCN(CCCC)C(=O)N(CCCC)CCCC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`3ef64372-8355-42bc-8a72-cb0f2264dcf3`	1,1,3,3-tetrabutylurea

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	1,1,3,3-tetrabutylurea	Emissions/Emissions to water/Emissions to sea water	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=1,1,3,3-tetrabutylurea\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=4559-86-8; added Common Chemistry CAS names as altLabel: <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-Tetrabutylurea, NSC 3892, Tetrabutylurea, Urea, 1,1,3,3-tetrabutyl-, Urea, <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-tetrabutyl-, Urea, tetrabutyl-; object_uuid=fo-6386e8b90a0d3353
`cas_match_labels`	1	`—`	consensus_match	group_key=1,1,3,3-tetrabutylurea\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4559-86-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6386e8b90a0d3353: {'4559-86-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '<em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-Tetrabutylurea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4559-86-8', 'https://commonchemistry.cas.org/detail?cas_rn=4559-86-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 3892', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4559-86-8', 'https://commonchemistry.cas.org/detail?cas_rn=4559-86-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tetrabutylurea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4559-86-8', 'https://commonchemistry.cas.org/detail?cas_rn=4559-86-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, 1,1,3,3-tetrabutyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4559-86-8', 'https://commonchemistry.cas.org/detail?cas_rn=4559-86-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-tetrabutyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4559-86-8', 'https://commonchemistry.cas.org/detail?cas_rn=4559-86-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, tetrabutyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4559-86-8', 'https://commonchemistry.cas.org/detail?cas_rn=4559-86-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=1,1,3,3-tetrabutylurea\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=4559-86-8; added Common Chemistry CAS names as altLabel: <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-Tetrabutylurea, NSC 3892, Tetrabutylurea, Urea, 1,1,3,3-tetrabutyl-, Urea, <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-tetrabutyl-, Urea, tetrabutyl-; object_uuid=fo-6386e8b90a0d3353
`cas_match_labels`	`None`	`{'4559-86-8': 'exactMatch'}`	group_key=1,1,3,3-tetrabutylurea\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4559-86-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6386e8b90a0d3353: {'4559-86-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "3ef64372-8355-42bc-8a72-cb0f2264dcf3",
  "name": null,
  "cas_numbers": [
    "4559-86-8"
  ],
  "ec_numbers": [
    "224-929-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "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": 7.0068
    },
    {
      "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": 7.0068
    }
  ],
  "source": "EF 3.1",
  "identifier": "3ef64372-8355-42bc-8a72-cb0f2264dcf3",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "3ef64372-8355-42bc-8a72-cb0f2264dcf3",
      "source_flow_name": "1,1,3,3-tetrabutylurea",
      "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 sea water"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Tetrabutylurea",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4559-86-8",
          "CID:20691"
        ],
        "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-wate-ocea",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C17H36N2O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "SNDGLCYYBKJSOT-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCN(CCCC)C(=O)N(CCCC)CCCC"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,1,3,3-tetrabutylurea"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J143.384I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691;CAS:4559-86-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4559-86-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.022.664",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691;CAS:4559-86-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4559-86-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=4559-86-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691;CAS:4559-86-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4559-86-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID7043902",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691;CAS:4559-86-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4559-86-8]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3892",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691;CAS:4559-86-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4559-86-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/736CY99V47",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691;CAS:4559-86-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4559-86-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/20691",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691;CAS:4559-86-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[4559-86-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184697",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691;CAS:4559-86-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4559-86-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27266145",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20691;CAS:4559-86-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4559-86-8]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "<em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-Tetrabutylurea",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4559-86-8",
          "https://commonchemistry.cas.org/detail?cas_rn=4559-86-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 3892",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4559-86-8",
          "https://commonchemistry.cas.org/detail?cas_rn=4559-86-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, 1,1,3,3-tetrabutyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4559-86-8",
          "https://commonchemistry.cas.org/detail?cas_rn=4559-86-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-tetrabutyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4559-86-8",
          "https://commonchemistry.cas.org/detail?cas_rn=4559-86-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, tetrabutyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4559-86-8",
          "https://commonchemistry.cas.org/detail?cas_rn=4559-86-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1,3,3-tetrabutylurea",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "3ef64372-8355-42bc-8a72-cb0f2264dcf3"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "4559-86-8": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/3ef64372-8355-42bc-8a72-cb0f2264dcf3",
        "skos:prefLabel": "1,1,3,3-tetrabutylurea",
        "context": "Emissions/Emissions to water/Emissions to sea water",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/3ef64372-8355-42bc-8a72-cb0f2264dcf3"
      },
      "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-6386e8b90a0d3353"
}