ChemicalBook--->CAS DataBase List--->106-79-6

106-79-6

106-79-6 Structure

106-79-6 Structure
IdentificationMore
[Name]

Dimethyl sebacate
[CAS]

106-79-6
[Synonyms]

1,8-OCTANEDICARBOXYLIC ACID-BIS-METHYL ESTER
DECANEDIOIC ACID DIMETHYL ESTER
DIMETHYL DECANEDIOATE
DIMETHYL SEBACATE
METHYL SEBACATE
SEBACIC ACID DIMETHYL ESTER
decadioic acid, dimethyl ester
Dimethyl octane-1,8-dicarboxylate
DMS (dimethyl sebacate)
Dimethylsebacat
Dimethyl-1,10-decanedioate
Dimethyl decanedioate, Sebacic acid dimethyl ester
Dimethyl sebacate , 94%,pract
Dimethyl sebacate, pract.
Decanedioic acid dimethyl
Octane-1,8-dicarboxylic acid dimethyl ester
[EINECS(EC#)]

203-431-4
[Molecular Formula]

C12H22O4
[MDL Number]

MFCD00008472
[Molecular Weight]

230.3
[MOL File]

106-79-6.mol
Chemical PropertiesBack Directory
[Appearance]

colourless melt or liquid
[Melting point ]

29-31 °C (lit.)
[Boiling point ]

158 °C/10 mmHg (lit.)
[density ]

0.988 g/mL at 25 °C(lit.)
[vapor pressure ]

0.08Pa at 25℃
[refractive index ]

1.4355 (estimate)
[Fp ]

293 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to lump to clear liquid
[color ]

White or Colorless to Light yellow
[Stability:]

Stable. Incompatible with oxidizing agents, bases. Combustible.
[Water Solubility ]

Insoluble in water.
[BRN ]

1785523
[Henry's Law Constant]

1.8×101 mol/(m3Pa) at 25℃, Ebert et al. (2023)
[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
[SMILES]

COC(=O)CCCCCCCCC(=O)OC
[LogP]

3.38
[CAS DataBase Reference]

106-79-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Decanedioic acid, dimethyl ester(106-79-6)
[EPA Substance Registry System]

106-79-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

1
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29171310
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 2
Eye Dam. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sebacic acid-->8-Nonenoic acid methyl ester-->1-Pentylallene-->2,4-Octadiene-->1,3-Octadiene-->Monomethyl adipate
[Preparation Products]

Tetradecanoic acid, 14-bromo-, methyl ester-->Methyl 10-hydroxydecanoate-->1,14-Dibromotetradecane-->SEBACIC DIHYDRAZIDE-->Methyl nonanoate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Decanedioic acid dimethyl ester(106-79-6).msds
Hazard InformationBack Directory
[Chemical Properties]

colourless melt or liquid
[Uses]

Polytetramethylene sebacate was prepared from dimethyl sebacate. Dimethyl sebacate was used in the biosynthesis of oligomeric sebacates as lubricant oils. Dimethyl sebacate was a convenient starting material for cyclization of N-Succinylglycine dimethyl ester.
[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.
[Definition]

ChEBI: Dimethyl sebacate is a fatty acid methyl ester that is sebacic acid in which both carboxy groups are replaced by methoxycarbonyl groups. It has a role as a plasticiser and a plant metabolite. It is a fatty acid methyl ester and a diester. It is functionally related to a sebacic acid.
[Preparation]

By direct estenfication of Sebacic acid and Methanol, usually under azeotropic conditions.
[General Description]

Dimethyl sebacate (DMS) is a plasticizer that can be synthesized by esterification of sebacic acid.
[Toxics Screening Level]

The initial threshold screening level (ITSL) for dimethyl decanedioate (also called dimethylsebacate) is 0.1 μg/m3 based on annual averaging time.
Spectrum DetailBack Directory
[Spectrum Detail]

Dimethyl sebacate(106-79-6)MS
Dimethyl sebacate(106-79-6)1HNMR
Dimethyl sebacate(106-79-6)13CNMR
Dimethyl sebacate(106-79-6)IR1
Dimethyl sebacate(106-79-6)IR2
Dimethyl sebacate(106-79-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Dimethyl sebacate, pract., 94%(106-79-6)
[Alfa Aesar]

Dimethyl sebacate, 97%(106-79-6)
[Sigma Aldrich]

106-79-6(sigmaaldrich)
[TCI AMERICA]

Dimethyl Sebacate,>97.0%(GC)(106-79-6)
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