2,2-dimethylsuccinic Acid

2,2-dimethylbutanedioic acid
2,2-Dimethylsuccinaldehyde
alpha,alpha-dimethyl-succinic acid
alpha,alpha-dimethylsuccinic acid
Butanedioic acid, 2,2-dimethyl-
Succinic acid, 2,2-dimethyl-
Succinic acid, α,α-dimethyl-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	GOHPTLYPQCTZSE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
IUPAC name chemrof:IUPAC_name	2,2-dimethylsuccinic Acid
Molecular formula chemrof:molecular_formula	C6H10O4
Molecular mass chemrof:molecular_mass	146.142
Monoisotopic mass chemrof:monoisotopic_mass	146.057909, 146.05791
SMILES string chemrof:smiles_string	CC(C)(CC(=O)O)C(=O)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=597-43-3	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86537	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.001	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID6021581	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=408419	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186607	enrich_references.pubchem_identifier_url
foodb.food	foodb.food:FDB022833	enrich_references.chebi_xrefs
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MX6TVR2107	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0002074	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J134.844B	enrich_references.pubchem_identifier_url
LIPID MAPS	https://www.lipidmaps.org/databases/lmsd/LMFA01170080	enrich_references.chebi_xrefs
lipidmaps.org	https://lipidmaps.org/databases/lmsd/LMFA01170080	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=2001	enrich_references.pubchem_identifier_url
pdb-ccd	pdb-ccd:WOC	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11701	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017695	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/12397032	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/17164917	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24601008	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/25111069	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/26356151	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/26856389	enrich_references.chebi_xrefs
reaxys	reaxys:1764476	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q27159224	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
fa998d69-7053-4caa-b000-2a27d4c462e9	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
f5048b14-4f41-4da1-82a4-1bb6c1b8d138	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
a40e7f1a-f0ad-485a-8d85-8b8332fbb582	Environmental → Air → Indoor	EF 3.1	kg	2
6f3170e5-a1dc-42a8-aa83-d2ba4eeeb9f3	Environmental → Air → Long-term	EF 3.1	kg	0
17d61d18-a3aa-48a3-8a94-cf462fe253c5	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
2f786120-748c-4c19-824a-50b1aad5fd87	Environmental → Air → Unknown	EF 3.1	kg	2
980fec8f-02bb-4dfa-946a-c1252d23fa7c	Environmental → Ground → Agricultural	EF 3.1	kg	2
13ba4ef2-a49a-4490-b960-c0af4d338c51	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
c94239d6-af4a-43ca-8107-a9d8c491fee2	Environmental → Ground → Unknown	EF 3.1	kg	2
186a125b-5e1d-495b-9de4-ce0639e7cffb	Environmental → Water → Long-term	EF 3.1	kg	0
b6b39a1e-9392-477e-950b-122411bfe6bb	Environmental → Water → Ocean	EF 3.1	kg	2
8edb4ba9-411b-46f9-8d9d-9c546e169bdd	Environmental → Water → Surface water	EF 3.1	kg	2
4428bf25-7c41-4204-9882-d3960842f219	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

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2,2-dimethylsuccinic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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