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Methyl 2-methylpentanoate

Methyl 2-methylpentanoate structure

CAS No:
2177-77-7
Formula:
C7H14O2
Chemical Name:
Methyl 2-methylpentanoate
Synonyms:
Pentanoic acid,2-methyl-,methyl ester;Valeric acid,2-methyl-,methyl ester;2-Methylpentanoic acid methyl ester;Methyl 2-methylpentanoate;Methyl 2-methylvalerate;α-Methylpentanoic acid methyl ester
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Methyl 2-methylpentanoate has a sweet fruity, maple, hazelnut and strawberry odor.

pale yellow liquid

Methyl 2-methylpentanoate is a fatty acid ester.

Methyl 2-methylpentanoate Basic Attributes

Molecular Weight：

130.18

Exact Mass：

130.18

EC Number：

218-543-9

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

1.59560

Appearance：

pale yellow liquid

Density：

0.878 g/mL at 25 °C(lit.)

Boiling Point：

45 °C0.2 mm Hg(lit.)

Flash Point：

85 °F

Refractive Index：

n20/D 1.403(lit.)

Water Solubility：

1070 mg/L @ 25 °C (est)

Vapor Pressure：

7.85mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

safety instructions：

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 156 companies from 3 notifications to the ECHA C&L Inventory.

Methyl 2-methylpentanoate Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:130.18
XLogP3:2.1
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 2-methylpentanoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Methyl 2-methylpentanoate

SDS

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