3-methylbutanoyl Chloride

3-Methylbutyryl chloride
Butanoyl chloride, 3-methyl-
Isopentanoyl chloride
Isovaleric acid chloride
Isovaleric chloride
Isovaleroyl chloride
Isovaleryl chloride

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ISULZYQDGYXDFW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name	3-methylbutanoyl Chloride
Molecular formula chemrof:molecular_formula	C5H9ClO
Molecular mass chemrof:molecular_mass	120.579
Monoisotopic mass chemrof:monoisotopic_mass	120.034193
SMILES string chemrof:smiles_string	CC(C)CC(=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=108-12-3	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.230	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7059359	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J2ML32M57V	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J134.568K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/66054	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27281067	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
18264c8c-3488-493d-87c3-a45bec23113d	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
98325ae1-8048-4f54-876a-7620d6f7512b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
d5964428-c96a-4d02-b4a5-41219b69721d	Environmental → Air → Indoor	EF 3.1	kg	2
e4b9166d-3575-4b9b-af97-a2f0c6ecc2c7	Environmental → Air → Long-term	EF 3.1	kg	0
b8883bdb-5014-4edf-a4cc-3957b6bdefa0	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
42381f37-925d-458b-a423-8dfc1ada646f	Environmental → Air → Unknown	EF 3.1	kg	2
86c62469-f2e9-4947-a0ed-13fa69b4f31b	Environmental → Ground → Agricultural	EF 3.1	kg	2
2b81b314-bdf3-4906-a205-a810fe7cff51	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
975b9f66-c108-45fa-ae45-c48acd842930	Environmental → Ground → Unknown	EF 3.1	kg	2
c45967c1-b699-461a-a274-bfc382b02e5f	Environmental → Water → Long-term	EF 3.1	kg	0
cb439608-514d-4a6f-ad52-580680756b04	Environmental → Water → Ocean	EF 3.1	kg	2
8f663233-f8b6-447a-8b85-c47e09db3fc7	Environmental → Water → Surface water	EF 3.1	kg	2
b036721e-a7ab-4e50-9e09-9e8ed70c1c1a	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": "3-methylbutanoyl Chloride",
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  "altLabel": [
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      "@value": "3-Methylbutyryl chloride",
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}

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3-methylbutanoyl Chloride

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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