Consensus flow list

Identity

Type
Chemical salt
CAS
22673-19-4
EC
245-152-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Tin, Dibutylbis(2,4-pentanedionato-ko2,ko4)-,

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MSTKDWKEUHEQSO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/2C5H7O2.2C4H9.Sn/c2*1-4(6)3-5(2)7;2*1-3-4-2;/h2*3H,1-2H3;2*1,3-4H2,2H3;/q4*-1;+4
IUPAC name chemrof:IUPAC_name butane;bis(pentane-2,4-dione);tin(4+), stannic;butane;bis(pentane-2,4-dione)
Molecular formula chemrof:molecular_formula C18H32O4Sn
Molecular mass chemrof:molecular_mass 431.161
Monoisotopic mass chemrof:monoisotopic_mass 432.132254
SMILES string chemrof:smiles_string CCC[CH2-].CCC[CH2-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Sn+4]

Known URLs

4

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=22673-19-4 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID701372827 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=644909 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/371028 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
8316eb67-3815-4195-84ad-d4df0b887d03 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
32ce228e-586f-4830-a1ab-8fd2f6977dcc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f66f8cfa-6ce9-44a9-8e8d-2862429922f6 Environmental → Air → Indoor EF 3.1 kg 4
bafdd6b7-4570-484c-8b6d-55faea57a802 Environmental → Air → Long-term EF 3.1 kg 0
fa591ead-9048-47d2-bfbc-20b4bcb79275 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ff7899d0-680a-47f1-9b8c-f5a00455cb13 Environmental → Air → Unknown EF 3.1 kg 4
17e9c98c-d9d5-4097-a34a-d523bc37815b Environmental → Ground → Agricultural EF 3.1 kg 4
6e26404e-cb68-436a-9034-2554e6ce5c09 Environmental → Ground → Non-agricultural EF 3.1 kg 4
b9ca16d9-e4f9-4925-b7b3-70cceee7be6b Environmental → Ground → Unknown EF 3.1 kg 4
22eeb6fd-af61-407f-b312-0d54bf2a1284 Environmental → Water → Long-term EF 3.1 kg 0
d8daa831-ce49-47e4-ad1e-232efc4454b1 Environmental → Water → Ocean EF 3.1 kg 4
fab3780a-d380-4fc8-8b0d-ed837f4d4064 Environmental → Water → Surface water EF 3.1 kg 4
f7521122-dbdf-4fee-972c-e5a5030e118b 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-52cc5e152f59a9b9",
  "prefLabel": [
    {
      "@value": "Tin, Dibutylbis(2,4-pentanedionato-ko2,ko4)-,",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "(OC-6-11)-Dibutylbis(2,4-pentanedionato-κO2,κO4)tin",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibutylbis(2,4-pentadionate)tin",
      "@language": "en",
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      "provenance": {
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    {
      "@value": "Dibutylbis(2,4-pentanedionato)tin",
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    },
    {
      "@value": "Dibutyltin bis(acetylacetonate)",
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      "@value": "K-KAT 8201",
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    },
    {
      "@value": "Nacem Tin",
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      "@value": "Neostann U 220",
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}

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