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Dimethyl sebacate

Catalog Number
ACM106796-3
CAS Number
106-79-6
Product Name
Dimethyl sebacate
Structure
Category
Plastic Additives; Plasticizers
Synonyms
Sebacic acid dimethyl ester, NSC 9415, Decanedioic acid 1,10-dimethyl ester, Dimethyl decanedioate
Description
Dimethyl sebacate (DMS) is a plasticizer that can be synthesized by esterification of sebacic acid.
IUPAC Name
Dimethyl decanedioate
Molecular Weight
230.30
Molecular Formula
CH3OCO(CH2)8COOCH3
Canonical SMILES
COC(=O)CCCCCCCCC(=O)OC
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
Boiling Point
158 °C/10 mmHg (lit.)
Melting Point
29-31 °C (lit.)
Flash Point
293 °F
Purity
94%
Density
0.988 g/mL at 25 °C (lit.)
Solubility
5.21e-04 M
Application
DMS can be used in the synthesis of decanedihydrazide which can be used as a precursor for isocyanates for the synthesis of thermoplastic polyurethanes. Transesterification of DMS with 2-ethylhexanol can be used to synthesize bis(2-ethylhexyl)sebacate for further use in petroleum based lubricants.
Assay
99%
Complexity
179
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
203-431-4
Exact Mass
230.15180918
Features And Benefits
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Formal Charge
0
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
MDL Number
MFCD00008472
MeSH Entry Terms
sebacic acid dimethyl ester
Monoisotopic Mass
230.15180918
NSC Number
9415
Packaging
Packaging
500 g in glass bottle
Rotatable Bond Count
11
Topological Polar Surface Area
52.6 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
G87745M355
Viscosity
4cs (35°C)
XLogP3
3
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