Consensus flow list

Identity

Type
Neutral molecule
CAS
597-64-8
EC
209-906-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tetraethyltin

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RWWNQEOPUOCKGR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/4C2H5.Sn/c4*1-2;/h4*1H2,2H3;
IUPAC name chemrof:IUPAC_name Tetraethyltin
Molecular formula chemrof:molecular_formula C8H20Sn
Molecular mass chemrof:molecular_mass 234.959
Monoisotopic mass chemrof:monoisotopic_mass 236.058695
SMILES string chemrof:smiles_string C[CH2][Sn]([CH2]C)([CH2]C)[CH2]C

Known URLs

11

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=597-64-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.007 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9022073 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=22315 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/31RE6NA75O enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.341H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/101586632 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11704 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3384 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q186600 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tetraethyltin enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
01192b69-1042-4903-97b3-124fe460e364 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0059996a-3535-4fe8-a2c2-340845c1f1f8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
acda228d-4dfc-4146-a092-218adf766616 Environmental → Air → Indoor EF 3.1 kg 2
240258ea-dbfb-4fa0-9588-8f625777844c Environmental → Air → Long-term EF 3.1 kg 0
a72b0628-038c-4eac-ac5b-7ce61d9af92e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
af4b5c38-5495-42b1-82b9-e632246730bc Environmental → Air → Unknown EF 3.1 kg 2
90a7fd1e-f720-4b81-a161-4def7c78d723 Environmental → Ground → Agricultural EF 3.1 kg 2
48b37c84-1478-4acb-8941-5148c9108436 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2c4e321f-5275-4621-b725-d1581caf7914 Environmental → Ground → Unknown EF 3.1 kg 2
a1bfe752-2a71-41a1-b672-9f173e540075 Environmental → Water → Long-term EF 3.1 kg 0
e481e234-bf0b-4ea9-b467-ae58ab287abb Environmental → Water → Ocean EF 3.1 kg 2
3b1b1f4b-6eff-40ed-af28-7609a6e0e8cd Environmental → Water → Surface water EF 3.1 kg 2
bf27ccc9-c587-4a5a-b8df-278a6c9df1f7 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-2d1f016820f8e772",
  "prefLabel": [
    {
      "@value": "Tetraethyltin",
      "@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": "Stannane, tetraethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:597-64-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=597-64-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetraethylstannane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:597-64-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=597-64-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H20Sn"
      ],
      "attested_by": {
        "C8H20Sn": [
          "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:11704",
            "CID:101586632"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[CH2][Sn]([CH2]C)([CH2]C)[CH2]C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "RWWNQEOPUOCKGR-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "RWWNQEOPUOCKGR-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:11704",
            "CID:101586632"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[CH2][Sn]([CH2]C)([CH2]C)[CH2]C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "C[CH2][Sn]([CH2]C)([CH2]C)[CH2]C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Tetraethyltin"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[CH2][Sn]([CH2]C)([CH2]C)[CH2]C"
          ]
        }
      ],
      "attested_by": {
        "C[CH2][Sn]([CH2]C)([CH2]C)[CH2]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/4C2H5.Sn/c4*1-2;/h4*1H2,2H3;"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Tetraethyltin"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[CH2][Sn]([CH2]C)([CH2]C)[CH2]C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/4C2H5.Sn/c4*1-2;/h4*1H2,2H3;": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Tetraethyltin"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Tetraethyltin"
        ]
      },
      "attested_by": {
        "Tetraethyltin": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        234.959
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[Sn](CC)(CC)CC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[CH2][Sn]([CH2]C)([CH2]C)[CH2]C"
          ]
        }
      ],
      "attested_by": {
        "234.959": [
          "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": [
        236.058695
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[Sn](CC)(CC)CC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[CH2][Sn]([CH2]C)([CH2]C)[CH2]C"
          ]
        }
      ],
      "attested_by": {
        "236.058695": [
          "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=J35.341H",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11704;CAS:597-64-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[597-64-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.009.007",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11704;CAS:597-64-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[597-64-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=597-64-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:101586632;CAS:597-64-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[597-64-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9022073",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11704;CAS:597-64-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[597-64-8]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=22315",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11704;CAS:597-64-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[597-64-8]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Tetraethyltin",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11704;CAS:597-64-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[597-64-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/31RE6NA75O",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11704;CAS:597-64-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[597-64-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/101586632",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:101586632;CAS:597-64-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[597-64-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11704",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11704;CAS:597-64-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[597-64-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#3384",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11704;CAS:597-64-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[597-64-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q186600",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11704;CAS:597-64-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[597-64-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0059996a-3535-4fe8-a2c2-340845c1f1f8",
    "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": [
        "597-64-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=597-64-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=597-64-8"
        }
      ],
      "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": [
        "209-906-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=209-906-2"
      ],
      "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.