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Dimethyl Sebacate

Catalog Number
ACMA00017350
Product Name
Dimethyl Sebacate
Category
Polymers
IUPAC Name
dimethyl decanedioate
Molecular Weight
230.3g/mol
Molecular Formula
C12H22O4
Canonical 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
InChI Key
ALOUNLDAKADEEB-UHFFFAOYSA-N
Melting Point
38.0 °C
Solubility
5.21e-04 M
Application
Dimethyl Sebacate is a versatile chemical substance serving several key industrial and biochemical purposes. With its characteristics as a colorless liquid or crystal, and a pleasant mild-ethereal-fruity scent, it is primarily used as a plasticizer in various applications. Its structure as a fatty acid methyl ester derived from sebacic acid, featuring methoxycarbonyl groups, allows for its diverse functionality. Dimethyl Sebacate is used in the biosynthesis of oligomeric sebacates for lubricant oils and as a starting material for synthesizing polytetramethylene sebacate. Furthermore, it is employed in the cyclization of N-Succinylglycine dimethyl ester and in the transesterification with 2-ethylhexanol to produce bis(2-ethylhexyl)sebacate, which is important for petroleum-based lubricants. Additionally, it aids in the synthesis of decanedihydrazide, a precursor for thermoplastic polyurethanes.
Complexity
179
Covalently-Bonded Unit Count
1
EC Number
203-431-4
Exact Mass
230.151809g/mol
Formal Charge
0
Heavy Atom Count
16
MeSH Entry Terms
sebacic acid dimethyl ester
Monoisotopic Mass
230.151809g/mol
NSC Number
9415
Rotatable Bond Count
11
UNII
G87745M355
XLogP3
3
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