Consensus flow list

Identity

Type
Chemical salt
CAS
1067-33-0
EC
213-928-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Dibutyltin Di(acetate)

Alternative labels

21

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JJLKTTCRRLHVGL-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C4H9.2C2H4O2.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2
IUPAC name chemrof:IUPAC_name Dibutyltin Di(acetate)
Molecular formula chemrof:molecular_formula C12H24O4Sn
Molecular mass chemrof:molecular_mass 351.031
Monoisotopic mass chemrof:monoisotopic_mass 352.069654
SMILES string chemrof:smiles_string CC(=O)[O-].CC(=O)[O-].CCC[CH2][Sn+2][CH2]CCC

Known URLs

12

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=1067-33-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.663 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.037.731 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020419 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8786 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BC9AZH1UZG enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.252A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/101277309 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16682740 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9798523 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2788 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27274595 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1ca9c52f-c30d-4cfa-9b5d-9a3e6e396ca9 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
89c7585f-9d3b-4984-b00f-5c14f5776179 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
569fc467-d599-45a9-a68f-5711f1418cbf Environmental → Air → Indoor EF 3.1 kg 4
d512b580-a1a1-4af3-a943-17005cfbc934 Environmental → Air → Long-term EF 3.1 kg 0
24a93e18-1a15-4cdf-b333-72f9ef65c469 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
af02c853-9077-4ece-b6aa-36ce36084374 Environmental → Air → Unknown EF 3.1 kg 4
342c3ea2-ad62-4935-bd97-3476273e6df9 Environmental → Ground → Agricultural EF 3.1 kg 4
33bb67d3-58e2-46c7-87d6-0956133bdf0e Environmental → Ground → Non-agricultural EF 3.1 kg 4
2bc86c2d-d0bd-4646-b7af-ddb2dbf690d3 Environmental → Ground → Unknown EF 3.1 kg 4
78f37c52-cee0-40ef-a588-b07a8620af3d Environmental → Water → Long-term EF 3.1 kg 0
0e2a16f2-66a1-4e12-8cec-5a205befdb79 Environmental → Water → Ocean EF 3.1 kg 4
055d4341-2cec-45a4-a32a-ed92c5992637 Environmental → Water → Surface water EF 3.1 kg 4
5f12d35f-6597-4b74-8198-829e9f2c267b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-90174de1201471c5",
  "prefLabel": [
    {
      "@value": "Dibutyltin Di(acetate)",
      "@language": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(Acetyloxy)dibutylstannyl acetate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, 1,1′-(dibutylstannylene) ester",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "BNT-CAT 400",
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      }
    },
    {
      "@value": "D 155023",
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      }
    },
    {
      "@value": "DBTDA",
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      }
    },
    {
      "@value": "Di-n-butyltin(II) acetate",
      "@language": "en",
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      }
    },
    {
      "@value": "Diacetoxydibutylstannane",
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      }
    },
    {
      "@value": "Diacetoxydibutyltin",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Dibutyldiacetoxytin",
      "@language": "en",
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      }
    },
    {
      "@value": "Dibutyltin acetate",
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    },
    {
      "@value": "Dibutyltin diacetate",
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    },
    {
      "@value": "Fomrez SUL 3",
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    },
    {
      "@value": "Metacure T 1",
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      }
    },
    {
      "@value": "Neostann U 20",
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      }
    },
    {
      "@value": "Neostann U 200",
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      }
    },
    {
      "@value": "S-Cat 8",
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      }
    },
    {
      "@value": "S-Cat 8F",
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        ],
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      }
    },
    {
      "@value": "Stannane, bis(acetyloxy)dibutyl-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Stannane, diacetoxydibutyl-",
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      }
    },
    {
      "@value": "Syl-off 23A",
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    },
    {
      "@value": "TIB KAT 233",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H24O4Sn"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
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      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "CC(=O)[O-].CC(=O)[O-].CCC[CH2][Sn+2][CH2]CCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "JJLKTTCRRLHVGL-UHFFFAOYSA-L"
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      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/smiles_string": {
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      "provenance": [
        {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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        },
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      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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