Octadecanoyl Chloride

Octadecanoic acid chloride
Octadecyloyl chloride
Stearic acid chloride
Stearic chloride
Stearoyl chloride
Stearyl acid chloride
Stearyl chloride

Property	Value
InChI2D key string chemrof:inchi2d_key_string	WTBAHSZERDXKKZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3
IUPAC name chemrof:IUPAC_name	Octadecanoyl Chloride
Molecular formula chemrof:molecular_formula	C18H35ClO
Molecular mass chemrof:molecular_mass	302.93
Monoisotopic mass chemrof:monoisotopic_mass	302.237643
SMILES string chemrof:smiles_string	CCCCCCCCCCCCCCCCCC(=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=112-76-5	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.640	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9051583	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MYP8E32GM2	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0258492	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J110.175G	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8212	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27284300	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
bac55f98-85d6-4d4a-baff-6da6a4d1f547	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
b3f4de2f-e08b-4e97-adb4-e845a486b52b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
3c89e587-5fb1-4da7-8207-110f7f0354a2	Environmental → Air → Indoor	EF 3.1	kg	2
3e700649-ea07-4c6e-beab-999ec1edf758	Environmental → Air → Long-term	EF 3.1	kg	0
9dbae545-e044-4c9f-a6aa-617899aea935	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
55df9067-7915-4329-b136-719c2ce07671	Environmental → Air → Unknown	EF 3.1	kg	2
2076a255-1774-4010-a0ff-8e853ec48670	Environmental → Ground → Agricultural	EF 3.1	kg	2
d9d19517-cb31-41c3-bf73-6d2051340f1a	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
6fbc94eb-f820-4cb0-8b33-828dc7e78bdd	Environmental → Ground → Unknown	EF 3.1	kg	2
2ea0fa03-ddc9-4109-ab4a-8a13786c36b3	Environmental → Water → Long-term	EF 3.1	kg	0
a6c186fc-19ba-43ad-9380-b7c7b159a509	Environmental → Water → Ocean	EF 3.1	kg	2
b2086127-1323-4ed5-8eb6-e2e10eefe983	Environmental → Water → Surface water	EF 3.1	kg	2
1d5e32bf-0e90-4688-99df-970b91317ffe	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
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    },
    {
      "@value": "Octadecyloyl chloride",
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}

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Octadecanoyl Chloride

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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