2-ethylhexanoyl Chloride

2-Ethylcaproyl chloride
2-Ethylhexanoic acid chloride
Hexanoyl chloride, 2-ethyl-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	WFSGQBNCVASPMW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3
IUPAC name chemrof:IUPAC_name	2-ethylhexanoyl Chloride
Molecular formula chemrof:molecular_formula	C8H15ClO
Molecular mass chemrof:molecular_mass	162.66
Monoisotopic mass chemrof:monoisotopic_mass	162.081143
SMILES string chemrof:smiles_string	CCCCC(CC)C(=O)Cl

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=760-67-8	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.010.983	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5027308	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=87892	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182853	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/81065MP285	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J150.162C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/79103	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27269184	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
2202ced6-3e4a-4d71-b5cf-1ba4580325f2	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
21346df6-e38a-496d-9d48-d812b27ed8b2	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
aa6fecd3-f81c-4887-8597-e2f33de14e64	Environmental → Air → Indoor	EF 3.1	kg	2
007a8f8c-8e47-4811-9f1e-4920ed5b8f9b	Environmental → Air → Long-term	EF 3.1	kg	0
ed9924fc-ed23-42a6-9f8e-2ff858ecde15	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4727dc6b-dec7-49cf-8ad1-45457d32e7a2	Environmental → Air → Unknown	EF 3.1	kg	2
2bc4f3ce-f185-4f83-89db-f16f2b8c6f39	Environmental → Ground → Agricultural	EF 3.1	kg	2
845073ce-ccc7-455e-b540-25111e6f77bd	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
a95ab541-bc35-4a95-9e6f-06ccebaaa4c8	Environmental → Ground → Unknown	EF 3.1	kg	2
3e3d990c-c9a3-425b-a89e-90f9e14ed317	Environmental → Water → Long-term	EF 3.1	kg	0
2d7f64d8-655a-496b-8439-28cf32005bf6	Environmental → Water → Ocean	EF 3.1	kg	2
9733f7ad-321b-4048-94ae-c626b4decc77	Environmental → Water → Surface water	EF 3.1	kg	2
730379a6-c52d-4d05-9ba4-91c4aeb2398e	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
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}

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2-ethylhexanoyl Chloride

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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