Allyl 3-oxobutanoate

3-Oxo-butyric acid allyl ester
Acetoacetic acid, allyl ester
Allyl acetoacetate
Allyl acetylacetate
Butanoic acid, 3-oxo-, 2-propen-1-yl ester
Butanoic acid, 3-oxo-, 2-propenyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	AXLMPTNTPOWPLT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3
IUPAC name chemrof:IUPAC_name	Allyl 3-oxobutanoate
Molecular formula chemrof:molecular_formula	C7H10O3
Molecular mass chemrof:molecular_mass	142.154
Monoisotopic mass chemrof:monoisotopic_mass	142.062994
SMILES string chemrof:smiles_string	C=CCOC(=O)CC(C)=O

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=1118-84-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.012.973	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID40149740	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=24280	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8HX066J62P	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J101.267C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/70701	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27270546	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f31c8d71-f086-49c9-a16f-c37abe42a4c9	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
0af5d9f2-eb5f-4640-947c-34f3974cc5be	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
1a4338c5-5b92-45ab-abe9-991d06fcf361	Environmental → Air → Indoor	EF 3.1	kg	2
396b66db-a9ac-41e3-b7bb-297493bc07bc	Environmental → Air → Long-term	EF 3.1	kg	0
1468e04e-f2e4-419b-8bf0-c4a7d945503c	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
6a7be5d2-fc55-4ee3-b9a6-f0adb7a15d8d	Environmental → Air → Unknown	EF 3.1	kg	2
f654cfb1-5e40-4bed-bc49-16afed9ced32	Environmental → Ground → Agricultural	EF 3.1	kg	2
04d6c568-05f1-4113-bce3-f68873097b01	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
7ebf6ea7-600d-4f47-8627-8e75a3d5c331	Environmental → Ground → Unknown	EF 3.1	kg	2
c4952ac7-23f2-43df-a021-b553ac5cca8b	Environmental → Water → Long-term	EF 3.1	kg	0
4834d799-451a-4964-ae2d-c82e090912d5	Environmental → Water → Ocean	EF 3.1	kg	2
184cc07e-5fd7-4c82-8c77-412039dff8ac	Environmental → Water → Surface water	EF 3.1	kg	2
9b7ebab8-17d4-4cf1-8ce0-b76a0b58fe9d	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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Allyl 3-oxobutanoate

Identity

Structure

Alternative labels

Properties

Known URLs

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