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Methyl tridecanoate

Methyl tridecanoate structure

CAS No:
1731-88-0
Formula:
C14H28O2
Chemical Name:
Methyl tridecanoate
Synonyms:
Tridecanoic acid,methyl ester;Methyl n-tridecanoate;Methyl tridecanoate;NSC 163375
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear colorless liquidThemethylester of tridecanoic acid.

Methyl tridecanoate is a fatty acid methyl ester.

Methyl tridecanoate Basic Attributes

Molecular Weight：

228.37

Exact Mass：

228.37

EC Number：

217-054-8

UNII：

O2H463RING

NSC Number：

163375

DSSTox ID：

DTXSID8061923

HScode：

29159000

Characteristics

PSA：

26.30000

XLogP3：

6.02

Appearance：

Clear colorless Liquid

Density：

0.864 g/mL at 25 °C(lit.)

Melting Point：

6.5 °C

Boiling Point：

92 °C

Flash Point：

113 °C

Refractive Index：

n 20/D 1.435(lit.)

Storage Conditions：

−20°C

Vapor Pressure：

0.00 mmHg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

26-39

RTECS Number：

YD3950000

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H318-H413

GHS Classification：

|Danger|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P273, P280, P305+P351+P338, P310, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 57 companies from 3 notifications to the ECHA C&L Inventory.

Methyl tridecanoate Use and Manufacturing

Uses

Intermediate in organic synthesis, biochemicalresearch, reference standard in gas chromatography.

Manufacturing Info：

Tridecanoic acid, methyl ester: ACTIVE

Use Classification：

EPA Safer Chemical Functional Use Classes -> Solvents|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern|Cosmetics -> Emollient; Skin conditioning

Computed Properties

Molecular Weight:228.37
XLogP3:6.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:228.208930132
Monoisotopic Mass:228.208930132
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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