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Methyl 3-methylpentanoate

Methyl 3-methylpentanoate structure

CAS No:
2177-78-8
Formula:
C7H14O2
Chemical Name:
Methyl 3-methylpentanoate
Synonyms:
Pentanoic acid,3-methyl-,methyl ester;Valeric acid,3-methyl-,methyl ester;Methyl β-methylvalerate;Methyl 3-methylpentanoate;3-Methylpentanoic acid methyl ester;3-Methylvaleric acid methyl ester;68070-12-2

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Methyl 3-methylpentanoate Basic Attributes

Molecular Weight：

130.18500

Exact Mass：

130.18

DSSTox ID：

DTXSID70334182

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

1.59560

Density：

0.820 g/cm³ @ Temp: 20 °C

Boiling Point：

137.3-138.0 °C

Flash Point：

41ºC

Refractive Index：

n20/D 1.405

Vapor Pressure：

7.85mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

safety instructions：

23-24/25

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:130.18
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:130.099379685
Monoisotopic Mass:130.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:88.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl 3-methylpentanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Methyl 3-methylpentanoate

SDS

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