Consensus flow list

Bis(2,4-di-tert-butyl-6-methylphenyl)ethyl Phosphate

fo-26c08ef6d566ac6e

Identity

Type
NeutralMolecule
CAS
145650-60-8
EC
416-140-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Bis(2,4-di-tert-butyl-6-methylphenyl)ethyl Phosphate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZEFSGHVBJCEKAZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C32H51O3P/c1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15/h17-20H,16H2,1-15H3
IUPAC name chemrof:IUPAC_name Bis(2,4-di-tert-butyl-6-methylphenyl) ethyl phosphite
Molecular formula chemrof:molecular_formula C32H51O3P
Molecular mass chemrof:molecular_mass 514.731
Monoisotopic mass chemrof:monoisotopic_mass 514.357582
SMILES string chemrof:smiles_string CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C

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=145650-60-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.511 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.205.563 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6051728 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4EL3Y5QX1X enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J866.679B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6850817 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27259491 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
879eb4ad-faff-411a-9561-8c90f10a024b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ce1676b0-6d86-4d16-81ae-5787ce11e89c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
11fe0455-a246-44f6-90af-f40b72ce402a Environmental → Air → Indoor EF 3.1 kg 4
01e2f6d4-119a-4f05-ab15-d51e01ab61e8 Environmental → Air → Long-term EF 3.1 kg 0
bbbb0b2e-e28f-46a9-a985-05ceea4c325c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
df13b953-a15a-452d-bbeb-f737383a2a16 Environmental → Air → Unknown EF 3.1 kg 4
beb7fc78-99bd-4205-b0a1-c1748e686646 Environmental → Ground → Agricultural EF 3.1 kg 4
4940c927-aced-4150-a101-c0b58920b896 Environmental → Ground → Non-agricultural EF 3.1 kg 4
867524c7-b841-4d3d-b239-21b3c31169cd Environmental → Ground → Unknown EF 3.1 kg 4
57f76b1e-e1cc-4cf3-a0f1-2c85395f8e8a Environmental → Water → Long-term EF 3.1 kg 0
6b34fc0d-74bd-4b1d-8244-9f1f06a7c3d3 Environmental → Water → Ocean EF 3.1 kg 4
a09d8830-0dd6-454e-8c1e-6f935f74d372 Environmental → Water → Surface water EF 3.1 kg 4
7ef05ede-470e-4740-8963-73364e9287ec Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-26c08ef6d566ac6e",
  "prefLabel": [
    {
      "@value": "Bis(2,4-di-tert-butyl-6-methylphenyl)ethyl 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": "Antioxidant 38",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:145650-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=145650-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(2,4-di-tert-butyl-6-methylphenyl) ethyl phosphite",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:145650-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=145650-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl bis[2-methyl-4,6-di(tert-butylphenyl] phosphite",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:145650-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=145650-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Irgafos 38",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:145650-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=145650-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorous acid, bis[2,4-bis(1,1-dimethylethyl)-6-methylphenyl] ethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:145650-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=145650-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C32H51O3P"
      ],
      "attested_by": {
        "C32H51O3P": [
          "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:6850817"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ZEFSGHVBJCEKAZ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "ZEFSGHVBJCEKAZ-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:6850817"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Bis(2,4-di-tert-butyl-6-methylphenyl) ethyl phosphite"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C32H51O3P/c1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15/h17-20H,16H2,1-15H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Bis(2,4-di-tert-butyl-6-methylphenyl) ethyl phosphite"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C32H51O3P/c1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15/h17-20H,16H2,1-15H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Bis(2,4-di-tert-butyl-6-methylphenyl) ethyl phosphite"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Bis(2,4-di-tert-butyl-6-methylphenyl) ethyl phosphite"
        ]
      },
      "attested_by": {
        "Bis(2,4-di-tert-butyl-6-methylphenyl) ethyl phosphite": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        514.731
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C)OC2=C(C=C(C=C2C)C(C)(C)C)C(C)(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "514.731": [
          "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": [
        514.357582
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C)OC2=C(C=C(C=C2C)C(C)(C)C)C(C)(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "514.357582": [
          "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=J866.679B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6850817;CAS:145650-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[145650-60-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.101.511",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6850817;CAS:145650-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[145650-60-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.205.563",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6850817;CAS:145650-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[145650-60-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=145650-60-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "145650-60-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6051728",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6850817;CAS:145650-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[145650-60-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4EL3Y5QX1X",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6850817;CAS:145650-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[145650-60-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6850817",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6850817;CAS:145650-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[145650-60-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27259491",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6850817;CAS:145650-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[145650-60-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "01e2f6d4-119a-4f05-ab15-d51e01ab61e8",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "145650-60-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=145650-60-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=145650-60-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "416-140-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=416-140-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.