Brightway Flows 1.0
GitHub

Zinc Bis[o,o-bis(4-dodecylphenyl) Dithiophosphate]

fo-2968f9e63c41c5b4

Identity

Type
Chemical salt
CAS
54261-67-5
EC
259-048-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Zinc Bis[o,o-bis(4-dodecylphenyl) Dithiophosphate]

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BQGHVUIRQKWVEJ-UHFFFAOYSA-L, DZRKYXRDCSRVLF-UHFFFAOYSA-L, UEHPDKPOOXUPDC-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C36H59O2PS2.Zn/c2*1-3-5-7-9-11-13-15-17-19-21-27-33-28-23-25-31-35(33)38-39(37,40)41-36-32-26-24-30-34(36)29-22-20-18-16-14-12-10-8-6-4-2;/h2*23-26,28,30-32H,3-22,27,29H2,1-2H3,(H,37,40);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name Zinc bis(dodecylphenyl) dithiophosphate
Molecular formula chemrof:molecular_formula C72H116O4P2S4Zn
SMILES string chemrof:smiles_string CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.[Zn+2]

Known URLs

6

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=54261-67-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=65045-85-4 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20880523 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23363560 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87073182 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81981566 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2fec2d9b-593a-43ed-8a10-306cbc61bf40 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7073b675-b8ad-4bb5-94f7-ada197a61c1b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6c752762-cd26-4310-8a27-5216fd42a015 Environmental → Air → Indoor EF 3.1 kg 2
05ecbb25-f1cc-4e0b-8f18-6886ca8f9aba Environmental → Air → Long-term EF 3.1 kg 0
172d83c4-c26a-4f24-874c-a6dee1887fa4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8c956e31-118b-44a6-b03e-b468ff22e21f Environmental → Air → Unknown EF 3.1 kg 2
a79ce2ca-0b75-416c-bb92-e5ed37e902e9 Environmental → Ground → Agricultural EF 3.1 kg 2
125f277d-8340-4ab6-b2d6-2c9f6b8be878 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9bff17c7-891f-44d2-9c0b-828afe2f513f Environmental → Ground → Unknown EF 3.1 kg 2
b60ac166-04b2-42a6-b72f-e895ab930556 Environmental → Water → Long-term EF 3.1 kg 0
1c854a0d-d081-4914-87dc-bb88cfd52766 Environmental → Water → Ocean EF 3.1 kg 2
81073b24-2f32-44d7-9177-6a3fb19ff710 Environmental → Water → Surface water EF 3.1 kg 2
1840910e-ee83-4b85-b7ff-5506dec5947a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-2968f9e63c41c5b4",
  "prefLabel": [
    {
      "@value": "Zinc Bis[o,o-bis(4-dodecylphenyl) Dithiophosphate]",
      "@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": "Bis[O,O-bis(dodecylphenyl) phosphorodithioato-S,S′]zinc",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:54261-67-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=54261-67-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis[O,O-bis(dodecylphenyl) phosphorodithioato-κS,κS′]zinc",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:54261-67-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=54261-67-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DDF",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:54261-67-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=54261-67-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DDF (pesticide)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:54261-67-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=54261-67-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodecylphenyl hydrogen phosphorodithioate, zinc complex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:54261-67-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=54261-67-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, dodecyl, hydrogen phosphorodithioate, zinc complex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:54261-67-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=54261-67-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, dodecyl-, hydrogen phosphorodithioate, zinc salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:54261-67-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=54261-67-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zinc bis(dodecylphenyl) dithiophosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:54261-67-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=54261-67-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zinc, bis[O,O-bis(dodecylphenyl) phosphorodithioato-S,S′]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:54261-67-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=54261-67-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zinc, bis[O,O-bis(dodecylphenyl) phosphorodithioato-κS,κS′]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:54261-67-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=54261-67-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C72H116O4P2S4Zn"
      ],
      "attested_by": {
        "C72H116O4P2S4Zn": [
          "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:23363560",
            "CID:87073182"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.[Zn+2]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BQGHVUIRQKWVEJ-UHFFFAOYSA-L",
        "DZRKYXRDCSRVLF-UHFFFAOYSA-L",
        "UEHPDKPOOXUPDC-UHFFFAOYSA-L"
      ],
      "attested_by": {
        "BQGHVUIRQKWVEJ-UHFFFAOYSA-L": [
          "enrich_references.pubchem_semantic"
        ],
        "DZRKYXRDCSRVLF-UHFFFAOYSA-L": [
          "enrich_references.pubchem_semantic"
        ],
        "UEHPDKPOOXUPDC-UHFFFAOYSA-L": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:23363560",
            "CID:87073182"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.[Zn+2]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.[Zn+2]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Zinc bis(dodecylphenyl) dithiophosphate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.[Zn+2]"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.[Zn+2]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/2C36H59O2PS2.Zn/c2*1-3-5-7-9-11-13-15-17-19-21-27-33-28-23-25-31-35(33)38-39(37,40)41-36-32-26-24-30-34(36)29-22-20-18-16-14-12-10-8-6-4-2;/h2*23-26,28,30-32H,3-22,27,29H2,1-2H3,(H,37,40);/q;;+2/p-2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Zinc bis(dodecylphenyl) dithiophosphate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.CCCCCCCCCCCCc1ccccc1OP([O-])(=S)Sc1ccccc1CCCCCCCCCCCC.[Zn+2]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/2C36H59O2PS2.Zn/c2*1-3-5-7-9-11-13-15-17-19-21-27-33-28-23-25-31-35(33)38-39(37,40)41-36-32-26-24-30-34(36)29-22-20-18-16-14-12-10-8-6-4-2;/h2*23-26,28,30-32H,3-22,27,29H2,1-2H3,(H,37,40);/q;;+2/p-2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Zinc bis(dodecylphenyl) dithiophosphate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Zinc bis(dodecylphenyl) dithiophosphate"
        ]
      },
      "attested_by": {
        "Zinc bis(dodecylphenyl) dithiophosphate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=54261-67-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23363560;CAS:54261-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[54261-67-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=65045-85-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23363560;CAS:54261-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[54261-67-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID20880523",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23363560;CAS:54261-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[54261-67-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23363560",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23363560;CAS:54261-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[54261-67-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87073182",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87073182;CAS:54261-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[54261-67-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81981566",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23363560;CAS:54261-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[54261-67-5]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "05ecbb25-f1cc-4e0b-8f18-6886ca8f9aba",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "54261-67-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=54261-67-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=54261-67-5"
        }
      ],
      "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": [
        "259-048-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=259-048-8"
      ],
      "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/ChemicalSalt"
  ]
}

Something wrong here?

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Keyboard

?
Show or hide this map
/
Focus search
Esc
Close