Dimethyl 2-acetylsuccinate

1,4-Dimethyl 2-acetylbutanedioate
2-Acetyl-succinic acid dimethyl ester
Acetosuccinic acid, dimethyl ester
Acetylsuccinic acid, dimethyl ester
Butanedioic acid, 2-acetyl-, 1,4-dimethyl ester
Butanedioic acid, acetyl-, dimethyl ester
Dimethyl acetylsuccinate
Succinic acid, acetyl-, dimethyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	XREKLQOUFWBSFH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3
IUPAC name chemrof:IUPAC_name	Dimethyl 2-acetylsuccinate
Molecular formula chemrof:molecular_formula	C8H12O5
Molecular mass chemrof:molecular_mass	188.179
Monoisotopic mass chemrof:monoisotopic_mass	188.068473
SMILES string chemrof:smiles_string	COC(=O)CC(C(C)=O)C(=O)OC

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=10420-33-4	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.030.804	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0041692	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184248	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LOE57K9I2C	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J212.384C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/112039	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27283096	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
b4afd5eb-df24-4f12-bb86-e7d0c939f91c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
5f712d7b-48f5-4633-89aa-4f8812b02af6	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
b8075316-1e6e-4d04-8f92-253dbdba72d3	Environmental → Air → Indoor	EF 3.1	kg	2
43227d6b-cb95-4e28-b155-1c5bc1dc4ec0	Environmental → Air → Long-term	EF 3.1	kg	0
3d44a7dd-4b79-43ca-bb21-a0bd45922a99	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
a8287324-96e9-4063-9eb2-30ada089a066	Environmental → Air → Unknown	EF 3.1	kg	2
4dee9074-b544-40ff-8dea-213a0227370f	Environmental → Ground → Agricultural	EF 3.1	kg	2
b121f761-7615-49c5-8950-c558c98f1a08	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
5bdf9ae9-72b1-48a5-ac4f-f7a6afb88b47	Environmental → Ground → Unknown	EF 3.1	kg	2
7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56	Environmental → Water → Long-term	EF 3.1	kg	0
b9e75480-a533-4378-b347-d82c6b46b644	Environmental → Water → Ocean	EF 3.1	kg	2
7410f742-ec2a-49ca-8c2c-692031038d3c	Environmental → Water → Surface water	EF 3.1	kg	2
7ea4fb07-b657-4cba-8428-4dddaa4d2835	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

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Flow object JSON

{
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Dimethyl 2-acetylsuccinate

Identity

Structure

Alternative labels

Properties

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Elementary flows

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