Systematic / IUPAC Name: Dimethyl decanedioate
ID: Reference3300
Other Names:
Decanedioic acid dimethyl ester;
Dimethyl decane-1,10-dioate;
Dimethyl octane-1,8-dicarboxylate;
Methyl sebacate;
Sebacic acid dimethyl ester
Formula: C12H22O4
Class: Extractables/Leachables Industrial Chemicals
Dimethyl sebacate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 119 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 11/10/2015 8:09:59 AM |
InChI | InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3 |
InChI Key | ALOUNLDAKADEEB-UHFFFAOYSA-N |
Canonical SMILES | COC(=O)CCCCCCCCC(=O)OC |
CAS | 106796 |
Splash | |
Other Names |
Decanedioic acid dimethyl ester; Dimethyl decane-1,10-dioate; Dimethyl octane-1,8-dicarboxylate; Methyl sebacate; Sebacic acid dimethyl ester |
ChemSpider | 7541 |
PubChem | 7829 |
ChemIDPlus | 000106796 |
ChEMBL | CHEMBL3186083 |