CAS 106-79-6 Dimethyl sebacate - Materials / Alfa Chemistry

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Plastic Additives

Dimethyl sebacate

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Catalog Number

ACM106796-3

Product Name

Dimethyl sebacate

Structure

CAS

106-79-6

Category

Plastic Additives

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.

Complexity

179

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

203-431-4

Exact Mass

230.15180918

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Formal Charge