Consensus flow list

Identity

Type
Neutral molecule
CAS
3349-36-8
EC
222-103-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Dibutoxy(dibutyl)stannane

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RGCPMRIOBZXXBR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/2C4H9O.2C4H9.Sn/c2*1-2-3-4-5;2*1-3-4-2;/h2*2-4H2,1H3;2*1,3-4H2,2H3;/q2*-1;;;+2
IUPAC name chemrof:IUPAC_name Dibutoxy(dibutyl)stannane
Molecular formula chemrof:molecular_formula C16H36O2Sn
Molecular mass chemrof:molecular_mass 379.173
Monoisotopic mass chemrof:monoisotopic_mass 380.173725
SMILES string chemrof:smiles_string CCCC[O][Sn]([CH2]CCC)([CH2]CCC)[O]CCCC

Known URLs

7

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=3349-36-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.095 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9062986 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.430B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/101972009 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16683936 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81985302 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2811366a-bfbb-4c82-b2ae-d02708163d11 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8f00dd35-96d6-4bd8-a1a1-01cf3b6d8901 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
65d515c9-3040-4c5d-9bcf-bcbf0e616370 Environmental → Air → Indoor EF 3.1 kg 4
40c175ca-5681-4112-909e-3350a657027a Environmental → Air → Long-term EF 3.1 kg 0
a3d476ee-1480-41b5-8436-6e0c998cdad4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
adfbd2d9-58bc-48ae-86fe-5e8ec4b6b9b4 Environmental → Air → Unknown EF 3.1 kg 4
d08102b2-242f-47e5-a28b-6814a3ecc3de Environmental → Ground → Agricultural EF 3.1 kg 4
13518b95-5eba-44ab-b6f6-842640dfb8d0 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6b84d29a-4c32-4aa5-bcc1-025a00943d77 Environmental → Ground → Unknown EF 3.1 kg 4
0f440578-64f6-4209-aece-b2fc9081c88d Environmental → Water → Long-term EF 3.1 kg 0
7c84591c-488e-4063-a74c-e4760e8345c6 Environmental → Water → Ocean EF 3.1 kg 4
d728907e-2e36-4804-943b-23ad5ddd7069 Environmental → Water → Surface water EF 3.1 kg 4
6d1ac19d-6fa5-4ae3-bd4c-a99219b1c181 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-cfeb6e534728a602",
  "prefLabel": [
    {
      "@value": "Dibutoxy(dibutyl)stannane",
      "@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": "Dibutoxydibutylstannane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3349-36-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3349-36-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibutoxydibutyltin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3349-36-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3349-36-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibutyldibutoxystannane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3349-36-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3349-36-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibutyldibutoxytin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3349-36-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3349-36-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibutyltin dibutoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3349-36-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3349-36-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibutyltin dibutylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3349-36-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3349-36-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stannane, dibutoxydibutyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3349-36-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3349-36-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tin, dibutoxydibutyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3349-36-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3349-36-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C16H36O2Sn"
      ],
      "attested_by": {
        "C16H36O2Sn": [
          "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:16683936",
            "CID:101972009"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[O][Sn]([CH2]CCC)([CH2]CCC)[O]CCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "RGCPMRIOBZXXBR-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "RGCPMRIOBZXXBR-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:16683936",
            "CID:101972009"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[O][Sn]([CH2]CCC)([CH2]CCC)[O]CCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCC[O][Sn]([CH2]CCC)([CH2]CCC)[O]CCCC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dibutoxy(dibutyl)stannane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[O][Sn]([CH2]CCC)([CH2]CCC)[O]CCCC"
          ]
        }
      ],
      "attested_by": {
        "CCCC[O][Sn]([CH2]CCC)([CH2]CCC)[O]CCCC": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/2C4H9O.2C4H9.Sn/c2*1-2-3-4-5;2*1-3-4-2;/h2*2-4H2,1H3;2*1,3-4H2,2H3;/q2*-1;;;+2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dibutoxy(dibutyl)stannane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[O][Sn]([CH2]CCC)([CH2]CCC)[O]CCCC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/2C4H9O.2C4H9.Sn/c2*1-2-3-4-5;2*1-3-4-2;/h2*2-4H2,1H3;2*1,3-4H2,2H3;/q2*-1;;;+2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Dibutoxy(dibutyl)stannane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Dibutoxy(dibutyl)stannane"
        ]
      },
      "attested_by": {
        "Dibutoxy(dibutyl)stannane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        379.173
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCO[Sn](CCCC)(CCCC)OCCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[O][Sn]([CH2]CCC)([CH2]CCC)[O]CCCC"
          ]
        }
      ],
      "attested_by": {
        "379.173": [
          "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": [
        380.173725
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCO[Sn](CCCC)(CCCC)OCCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[O][Sn]([CH2]CCC)([CH2]CCC)[O]CCCC"
          ]
        }
      ],
      "attested_by": {
        "380.173725": [
          "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=J205.430B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16683936;CAS:3349-36-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3349-36-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.020.095",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16683936;CAS:3349-36-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3349-36-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=3349-36-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16683936;CAS:3349-36-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3349-36-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9062986",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16683936;CAS:3349-36-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3349-36-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/101972009",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:101972009;CAS:3349-36-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[3349-36-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16683936",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16683936;CAS:3349-36-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[3349-36-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81985302",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16683936;CAS:3349-36-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3349-36-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0f440578-64f6-4209-aece-b2fc9081c88d",
    "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": [
        "3349-36-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=3349-36-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=3349-36-8"
        }
      ],
      "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": [
        "222-103-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=222-103-1"
      ],
      "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.