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Dimethyl sebacate

Dimethyl sebacate structure

CAS No:
106-79-6
Formula:
C12H22O4
Chemical Name:
Dimethyl sebacate
Synonyms:
Decanedioic acid,1,10-dimethyl ester;Sebacic acid,dimethyl ester;Decanedioic acid,dimethyl ester;Dimethyl sebacate;Dimethyl octane-1,8-dicarboxylate;Dimethyldecanedioate;Dimethyl decane-1,10-dioate;NSC 9415
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

colourless melt or liquid

Dimethyl sebacate Basic Attributes

Molecular Weight：

230.3

Exact Mass：

230.30

BRN：

1785523

EC Number：

203-431-4

UNII：

G87745M355

NSC Number：

9415

DSSTox ID：

DTXSID1026740

HScode：

29171310

Characteristics

PSA：

52.6

XLogP3：

Appearance：

clear liquid

Density：

0.9944 g/cm³ @ Temp: 25 °C

Melting Point：

38 °C

Boiling Point：

293 °C @ Press: 154 Torr

Flash Point：

293 °F

Refractive Index：

1.4355 (estimate)

Water Solubility：

Insoluble in water.

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.00123mmHg at 25°C

Collision Cross Section：

159.71 Å² [M+Na]+

Safety Information

wgk germany：

safety instructions：

24/25

Stability/Shelf Life：

Stable. Incompatible with oxidizing agents, bases. Combustible.

Precautionary statement(s)：

P273, P280, P305+P351+P338, P310, P501

Hazard Statements：

H318

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

sebacic acid dimethyl ester

Dimethyl sebacate Use and Manufacturing

Uses

Solvent. Intermediate. Plasticizer.

Corrosion inhibitors and anti-scaling agents

Manufacturing Info：

All other basic organic chemical manufacturing|Decanedioic acid, 1,10-dimethyl ester: ACTIVE

Computed Properties

Molecular Weight:230.30
XLogP3:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:230.15180918
Monoisotopic Mass:230.15180918
Topological Polar Surface Area:52.6
Heavy Atom Count:16
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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