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CHEBI:194205 - dimethyl sebacate
| Formula | C12H22O4 |
| Net Charge | 0 |
| Average Mass | 230.304 |
| Monoisotopic Mass | 230.15181 |
| SMILES | COC(=O)CCCCCCCCC(=O)OC |
| 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 |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | 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 Relation(s) |
| 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 | Source |
|---|---|
| sebacic acid, dimethyl ester | NIST Chemistry WebBook |
| decanedioic acid, dimethyl ester | NIST Chemistry WebBook |
| decanedioic acid, 1,10-dimethyl ester | ChEBI |
| dimethyl octane-1,8-dicarboxylate | NIST Chemistry WebBook |
| dimethyl decane-1,10-dioate | ChEBI |
| decanedioic acid dimethyl ester | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1785523 | Reaxys |
| CAS:106-79-6 | NIST Chemistry WebBook |
| Citations |
|---|