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(±)-Methyl 2-methylbutanoate

(±)-Methyl 2-methylbutanoate structure

CAS No:
868-57-5
Formula:
C6H12O2
Chemical Name:
(±)-Methyl 2-methylbutanoate
Synonyms:
Butanoic acid,2-methyl-,methyl ester;Butyric acid,2-methyl-,methyl ester;Butyric acid,α-methyl-,methyl ester;Methyl 2-methylbutyrate;Methyl α-methylbutyrate;2-Methylbutanoic acid methyl ester;Methyl 2-methylbutanoate;Methyl α-methylbutanoate;α-Methylbutyric acid methyl ester;Methyl anteisovalerate;Methyl dl-α-methylbutyrate;(±)-Methyl α-methylbutyrate;(±)-Methyl 2-methylbutanoate;Methyl (±)-2-methylbutanoate;2-Methylbutyric acid methyl ester;53955-81-0
Categories:
Cosmetic Ingredient > Perfuming

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Description

Methyl-2-methylbutyrate has a sweet, fruity, apple-like odor and an apple-like taste at low concentrations.

almost colourless liquid/sweet, fruity, apple-like odour

Methyl (S)-2-Methylbutanoate is a fatty acid ester.

(±)-Methyl 2-methylbutanoate Basic Attributes

Molecular Weight：

116.16

Exact Mass：

116.16

BRN：

1720409

EC Number：

212-778-0

DSSTox ID：

DTXSID1052587

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

1.5

Appearance：

Liquid

Density：

0.8757 g/cm³ @ Temp: 25 °C

Melting Point：

-91°C (estimate)

Boiling Point：

112-115 °C

Flash Point：

90 °F

Refractive Index：

1.396

Water Solubility：

soluble in alcohol, most fixed oils; insoluble in water

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

10-11

safety instructions：

16-23-33-29-7/9

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H225 (97.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1668 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(±)-Methyl 2-methylbutanoate Use and Manufacturing

Methods of Manufacturing

From isobutylene, carbon monoxide and menthol (or isobutylene, carbon monoxide and acid catalyst) under pressure to prepare mixed esters containing methyl 2-methylbutyrate, and then fractional distillation.

Uses

GB 2760-1996 stipulates the allowed use of edible spices. Mainly used to prepare apple, tropical fruit, rum flavors and enhance the flavor of fruit flavors.

Manufacturing Info：

Butanoic acid, 2-methyl-, methyl ester: ACTIVE

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:116.16
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:116.083729621
Monoisotopic Mass:116.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:78.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1,3-Butadiene

Isobutylene

Methanol

Recommended Suppliers of (±)-Methyl 2-methylbutanoate

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

Methyl 2-methylbutyrate

CAS No.: 868-57-5

Content: 99.00%

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Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of fine chemicals,pharmaceutical materials

Methyl 2-methylbutyrate

CAS No.: 868-57-5

Grade: industrial Grade

Content: 98%

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Guide of (±)-Methyl 2-methylbutanoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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(±)-Methyl 2-methylbutanoate

SDS

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