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2-ethylhexyl Sulfanylacetate

fo-b61ab14e9634eae6

Identity

Type
Neutral molecule
CAS
7659-86-1
EC
231-626-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-ethylhexyl Sulfanylacetate

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OWHSTLLOZWTNTQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-ethylhexyl Sulfanylacetate
Molecular formula chemrof:molecular_formula C10H20O2S
Molecular mass chemrof:molecular_mass 204.335
Monoisotopic mass chemrof:monoisotopic_mass 204.118401
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)CS

Known URLs

9

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=7659-86-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.028.752 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4027656 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1869371 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X6P51ASB6H enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2930.90.92.12 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J150.356A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24309 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27887386 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f2343d61-aaf9-4f3b-9940-74dbcc7d70c0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e0b14887-332f-4628-9f28-51dfb7b480bc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d2b0b883-860f-4280-b58f-74098a91f72b Environmental → Air → Indoor EF 3.1 kg 2
2abb3870-d25b-4ef8-8adc-4768b7a89961 Environmental → Air → Long-term EF 3.1 kg 0
32d0ad6d-603c-4f01-bb2a-550afce79f93 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f0cd9127-05f5-43af-a886-4afa3eeb941b Environmental → Air → Unknown EF 3.1 kg 2
4567eb37-e411-4759-a7aa-66f1d4db168c Environmental → Ground → Agricultural EF 3.1 kg 2
a8275d69-1a8f-46c6-9b45-57756b24804e Environmental → Ground → Non-agricultural EF 3.1 kg 2
00779b63-2f13-4fdf-8498-a0518d82390a Environmental → Ground → Unknown EF 3.1 kg 2
e895aafa-f310-4c35-9aaf-d8d21afd0045 Environmental → Water → Long-term EF 3.1 kg 0
1edfc401-aeaa-4824-b32d-4772ae41153d Environmental → Water → Ocean EF 3.1 kg 2
ae5cbf67-2694-45fc-8a4e-a3aa8d22eaed Environmental → Water → Surface water EF 3.1 kg 2
ccc21bbc-7928-404e-bb3f-dbeeb0e48826 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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    {
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  "altLabel": [
    {
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    },
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      "@value": "2-Ethylhexyl 2-sulfanylacetate",
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    },
    {
      "@value": "2-Ethylhexyl mercaptoacetate",
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      }
    },
    {
      "@value": "2-Ethylhexyl thioglycolate",
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    {
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}

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