Consensus flow list

Identity

Type
Neutral molecule
CAS
2528-36-1
EC
219-772-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Dibutyl Phenyl Phosphate

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YICSVBJRVMLQNS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
IUPAC name chemrof:IUPAC_name Dibutyl Phenyl Phosphate
Molecular formula chemrof:molecular_formula C14H23O4P
Molecular mass chemrof:molecular_mass 286.308
Monoisotopic mass chemrof:monoisotopic_mass 286.133396
SMILES string chemrof:smiles_string CCCCOP(=O)(OCCCC)Oc1ccccc1

Known URLs

8

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2528-36-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.975 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50873428 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4094240 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LXX4UW7ZYD enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J92.210B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17312 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27283246 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f8c24de6-e294-44d2-a697-9675d61a92e4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fb367843-1f76-4456-8bff-35f1d8e47c57 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
48da13e6-6e79-4d6e-8c52-08cf3d6e88fe Environmental → Air → Indoor EF 3.1 kg 2
f4002d35-52aa-4603-840d-84398f896cd6 Environmental → Air → Long-term EF 3.1 kg 0
6feb5ed2-b2a9-47d5-82cb-e690c21a5a4a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2bf7420d-ef2f-4980-a5f3-fe18d2dfc48f Environmental → Air → Unknown EF 3.1 kg 2
2befde87-5737-4c61-b82d-de5c0438898f Environmental → Ground → Agricultural EF 3.1 kg 2
bffe4ec9-f542-4170-8f1d-c7bad898f2c2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
99bf05a9-ef5c-428a-823b-107ab2c5451c Environmental → Ground → Unknown EF 3.1 kg 2
d13c5c9e-7987-40c4-aa70-bd7fe601a16e Environmental → Water → Long-term EF 3.1 kg 0
09e62804-e7a3-4771-8383-6fd6cf8374f7 Environmental → Water → Ocean EF 3.1 kg 2
ca053dcb-6c8d-429b-b991-5792049ec6b7 Environmental → Water → Surface water EF 3.1 kg 2
e5ab89bf-6973-4559-9038-db506a7d6502 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-476cded0007df2f5",
  "prefLabel": [
    {
      "@value": "Dibutyl Phenyl Phosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Butyl phenyl phosphate ((BuO)2(PhO)PO)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2528-36-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2528-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphoric acid, dibutyl phenyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2528-36-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2528-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H23O4P"
      ],
      "attested_by": {
        "C14H23O4P": [
          "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:17312"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOP(=O)(OCCCC)Oc1ccccc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "YICSVBJRVMLQNS-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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        },
        {
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          "prov:hadPrimarySource": [
            "CCCCOP(=O)(OCCCC)Oc1ccccc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCOP(=O)(OCCCC)Oc1ccccc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOP(=O)(OCCCC)Oc1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "CCCCOP(=O)(OCCCC)Oc1ccccc1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3"
      ],
      "provenance": [
        {
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOP(=O)(OCCCC)Oc1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Dibutyl Phenyl Phosphate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Dibutyl Phenyl Phosphate"
        ]
      },
      "attested_by": {
        "Dibutyl Phenyl Phosphate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOP(=O)(OCCCC)OC1=CC=CC=C1"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOP(=O)(OCCCC)Oc1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "286.308": [
          "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": [
        286.133396
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOP(=O)(OCCCC)OC1=CC=CC=C1"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOP(=O)(OCCCC)Oc1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "286.133396": [
          "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=J92.210B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2528-36-1]"
      }
    },
    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[2528-36-1]"
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    },
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
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        "prov:wasDerivedFrom": "pubchem.identifiers[2528-36-1]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "09e62804-e7a3-4771-8383-6fd6cf8374f7",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
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  },
  "classifications": {
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        "2528-36-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=2528-36-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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