Consensus flow list

Identity

Type
Neutral molecule
CAS
10584-98-2
EC
234-186-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

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

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PRIUALOJYOZZOJ-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C10H20O2S.2C4H9.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
IUPAC name chemrof:IUPAC_name 2-ethylhexyl 4,4-dibutyl-10-ethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate
Molecular formula chemrof:molecular_formula C28H56O4S2Sn
Molecular mass chemrof:molecular_mass 639.597
Monoisotopic mass chemrof:monoisotopic_mass 640.264197
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)C[S][Sn]([CH2]CCC)([CH2]CCC)[S]CC(=O)OCC(CC)CCCC

Known URLs

8

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=10584-98-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.031.066 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0029719 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2CLF5X93VN enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.298E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/101586614 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9571022 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27254563 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3489c7da-bae4-4dae-a65d-2657965e4b4f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
217aa008-bbec-4dd7-8759-3f1836526482 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5b95cfeb-cbed-45c9-8c4b-8f2669679ef2 Environmental → Air → Indoor EF 3.1 kg 4
cd215334-8884-42e4-9d89-64684f5716b3 Environmental → Air → Long-term EF 3.1 kg 0
fb431a8e-cae8-42ca-a944-010ef9aa44ad Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
97a4aef0-5fd0-4e1d-b4b9-4e5238966f3f Environmental → Air → Unknown EF 3.1 kg 4
420588d3-2285-4475-aab1-5a5784427c2e Environmental → Ground → Agricultural EF 3.1 kg 4
fb1874f0-c03b-459e-a014-14a101eb88ab Environmental → Ground → Non-agricultural EF 3.1 kg 4
ef467b2a-479f-446a-82d8-fefccf76213e Environmental → Ground → Unknown EF 3.1 kg 4
51b7ed69-f87d-48b1-bd90-895f9f0938b8 Environmental → Water → Long-term EF 3.1 kg 0
9006dad0-930c-4b5e-863d-a00905e2a3a3 Environmental → Water → Ocean EF 3.1 kg 4
5f3ba249-1eab-4876-89e4-3e4b04c3b2f1 Environmental → Water → Surface water EF 3.1 kg 4
4caf74b5-3f0e-4e63-a675-a4437d2baf42 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
{
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  ],
  "altLabel": [
    {
      "@value": "2-Ethylhexyl 4,4-dibutyl-10-ethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate",
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    },
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      "@value": "8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 4,4-dibutyl-10-ethyl-7-oxo-, 2-ethylhexyl ester",
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    {
      "@value": "Acetic acid, [(dibutylstannylene)dithio]di-, bis(2-ethylhexyl) ester",
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        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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