Consensus flow list

Identity

Type
Neutral molecule
CAS
57583-35-4
EC
260-829-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YAHBZWSDRFSFOO-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2
IUPAC name chemrof:IUPAC_name 2-ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate
Molecular formula chemrof:molecular_formula C22H44O4S2Sn
Molecular mass chemrof:molecular_mass 555.435
Monoisotopic mass chemrof:monoisotopic_mass 556.170297
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)C[S][Sn]([CH3])([CH3])[S]CC(=O)OCC(CC)CCCC

Known URLs

5

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=57583-35-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.055.281 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9028043 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9576130 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72491717 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
69758dc0-10f7-467d-b8ee-f7355d47514f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c58e5e25-f4f6-4ea8-9932-cc14d8307934 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
43d3feb1-2aef-4897-9abf-c9423903a669 Environmental → Air → Indoor EF 3.1 kg 2
d06114ac-1899-41ea-8864-f842907cbf59 Environmental → Air → Long-term EF 3.1 kg 0
c652c38c-a47d-4d39-8371-64f8cf6e2a5b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
86deb834-e212-4c2c-9bf0-c4b964a37bc3 Environmental → Air → Unknown EF 3.1 kg 2
30852885-4013-43dd-a8ba-5185ba5d9535 Environmental → Ground → Agricultural EF 3.1 kg 2
68adc6db-9bda-43ff-acec-a0044052ff05 Environmental → Ground → Non-agricultural EF 3.1 kg 2
03825cff-1015-4d3e-8ebe-15f07ff9abd2 Environmental → Ground → Unknown EF 3.1 kg 2
6575b83d-ec5b-4c91-b4ca-ea2afc6f7b4f Environmental → Water → Long-term EF 3.1 kg 0
86ea5019-65e3-4440-b6b0-1b5840e4bf22 Environmental → Water → Ocean EF 3.1 kg 2
d7b097dd-a95a-41ee-8762-48b95326179a Environmental → Water → Surface water EF 3.1 kg 2
2a3a1bfa-eeda-43d0-abe4-4874773ccd0f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f680c798a94c16cd",
  "prefLabel": [
    {
      "@value": "2-ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4,4-dimethyl-7-oxo-, 2-ethylhexyl ester",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyltin bis(2-ethylhexyl mercaptoacetate)",
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        ],
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      }
    },
    {
      "@value": "Dimethyltin bis(2-ethylhexyl thioglycolate)",
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    },
    {
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    },
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      "@value": "Methyltin mercaptide",
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}

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