dimethyl sebacate (CHEBI:194205)

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ChEBI Name	dimethyl sebacate

ChEBI ID	CHEBI:194205

Definition	A fatty acid methyl ester that is sebacic acid in which both carboxy groups are replaced by methoxycarbonyl groups.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C12H22O4

Net Charge

Average Mass

230.304

Monoisotopic Mass

230.15181

InChI

InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3

InChIKey

ALOUNLDAKADEEB-UHFFFAOYSA-N

SMILES

COC(=O)CCCCCCCCC(=O)OC

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	plasticiser Any compound that is used as an additive to increase the plasticity or fluidity of a substance, particularly but not exclusively to synthetic polymers.

ChEBI Ontology
Outgoing	dimethyl sebacate (CHEBI:194205) has functional parent sebacic acid (CHEBI:41865) dimethyl sebacate (CHEBI:194205) has role plant metabolite (CHEBI:76924) dimethyl sebacate (CHEBI:194205) has role plasticiser (CHEBI:79056) dimethyl sebacate (CHEBI:194205) is a diester (CHEBI:51307) dimethyl sebacate (CHEBI:194205) is a fatty acid methyl ester (CHEBI:4986)

IUPAC Name

dimethyl decanedioate

Synonyms	Sources
1,10-decanedioic acid dimethyl ester	ChEBI
decanedioic acid 1,10-dimethyl ester	ChEBI
decanedioic acid dimethyl ester	ChEBI
decanedioic acid, 1,10-dimethyl ester	ChEBI
decanedioic acid, dimethyl ester	NIST Chemistry WebBook
dimethyl decane-1,10-dioate	ChEBI
dimethyl octane-1,8-dicarboxylate	NIST Chemistry WebBook
methyl sebacate	ChEBI
sebacic acid dimethyl ester	ChEBI
sebacic acid, dimethyl ester	NIST Chemistry WebBook

Last Modified

10 January 2023