Diethyl 2-(2-oxopropyl)butanedioate

(2-Oxopropyl)butanedioic acid diethyl ester
1,4-Diethyl 2-(2-oxopropyl)butanedioate
Butanedioic acid, (2-oxopropyl)-, diethyl ester
Butanedioic acid, 2-(2-oxopropyl)-, 1,4-diethyl ester
Diethyl acetonylsuccinate
Succinic acid, acetonyl-, diethyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	AAPVOVKOHNCXJA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C11H18O5/c1-4-15-10(13)7-9(6-8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3
IUPAC name chemrof:IUPAC_name	Diethyl 2-(2-oxopropyl)butanedioate
Molecular formula chemrof:molecular_formula	C11H18O5
Molecular mass chemrof:molecular_mass	230.26
Monoisotopic mass chemrof:monoisotopic_mass	230.115424
SMILES string chemrof:smiles_string	CCOC(=O)CC(CC(C)=O)C(=O)OCC

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=1187-74-2	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.129.537	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID40420187	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182026	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.629.004A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/5463816	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72469044	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
921d77d1-bc8e-4e8e-a1c4-cb2d03abe896	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
8367015d-d188-438f-a030-5578e5ca62d7	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
529f0957-ea21-4382-9e13-40f66fa3e162	Environmental → Air → Indoor	EF 3.1	kg	2
225c274b-1e5e-4183-b2e3-d444d547332d	Environmental → Air → Long-term	EF 3.1	kg	0
28ec55be-10e6-4001-b200-47bebf2d2cc4	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
c988f2ac-91e7-4204-bb4b-a8e725b32a89	Environmental → Air → Unknown	EF 3.1	kg	2
a4467f3c-f74c-4156-9f1e-c2190e39f888	Environmental → Ground → Agricultural	EF 3.1	kg	2
8e17d3f6-e183-4f19-8eb5-3f19c93243b7	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
9d3d0d25-30fb-471f-93b4-58b7b32917bb	Environmental → Ground → Unknown	EF 3.1	kg	2
4bdbb12c-5225-4422-9e8b-59f17cc7697a	Environmental → Water → Long-term	EF 3.1	kg	0
2add6a98-d802-4580-b361-5c8f13e20707	Environmental → Water → Ocean	EF 3.1	kg	2
f1c03677-7818-4826-a2e1-f7e25e275360	Environmental → Water → Surface water	EF 3.1	kg	2
5dda86d6-e7a9-4652-b50c-1eb5bd71f091	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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Diethyl 2-(2-oxopropyl)butanedioate

Identity

Structure

Alternative labels

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