Octanoyl Chloride

1-Octanoic acid chloride
Caprylic acid chloride
Capryloyl chloride
n-Octanoyl chloride
Octanoic acid chloride
Octanoic chloride

Property	Value
InChI2D key string chemrof:inchi2d_key_string	REEZZSHJLXOIHL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3
IUPAC name chemrof:IUPAC_name	Octanoyl 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	CCCCCCCC(=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=111-64-8	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.538	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9024724	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1504663	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BK8FUS6OVT	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.913H	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8124	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#1760	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q48996228	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Octanoyl_chloride	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
9618bfb9-66f3-444b-9dc1-3dc6259fd829	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
618b8f5c-3d7c-4a45-adf7-32f3311674f4	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
b82dc621-e560-4c0f-a89f-b67c2e7d4712	Environmental → Air → Indoor	EF 3.1	kg	2
f4ea590f-c9aa-4b55-8490-f3a60f901a8a	Environmental → Air → Long-term	EF 3.1	kg	0
fd646dfc-3b86-4e7c-a689-16389cc60df2	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
457f0027-e2ee-4145-9b3e-099ae06e4613	Environmental → Air → Unknown	EF 3.1	kg	2
5bcd37c1-0757-4f6a-ab16-fd1f5dd7b2e8	Environmental → Ground → Agricultural	EF 3.1	kg	2
9ac8cdf4-2e6a-4e79-9baf-c0e1f0e8380e	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
e03d47cc-b00d-4c42-9d07-adc972a40edb	Environmental → Ground → Unknown	EF 3.1	kg	2
6dc79d24-37ab-4f20-8d0a-c3253beeaf31	Environmental → Water → Long-term	EF 3.1	kg	0
f7feccda-57a7-447a-ab86-a4ea98381822	Environmental → Water → Ocean	EF 3.1	kg	2
59e8451a-7f85-44e5-b259-7086eed3a3af	Environmental → Water → Surface water	EF 3.1	kg	2
74a59e20-8f96-4656-afa6-9e12d404bfc0	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-90e1199b15061749",
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    {
      "@value": "Octanoyl Chloride",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "1-Octanoic acid chloride",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Caprylic acid chloride",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Capryloyl chloride",
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    },
    {
      "@value": "n-Octanoyl chloride",
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}

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Octanoyl Chloride

Identity

Structure

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