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Methyl isobutyrate

Methyl isobutyrate structure

CAS No:
547-63-7
Formula:
C5H10O2
Chemical Name:
Methyl isobutyrate
Synonyms:
Propanoic acid,2-methyl-,methyl ester;Isobutyric acid,methyl ester;Methyl isobutyrate;Methyl 2-methylpropionate;Methyl 2-methylpropanoate;2-Methylpropanoic acid methyl ester;Methyl 2,2-dimethylacetate;NSC 126780;2-Methylpropionic acid methyl ester
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

Methyl isobutyrate has a fruity (apple–pineapple) odor and a sweet flavor reminiscent of apricot. CLEAR COLOURLESS LIQUID

Liquid|colourless liquid

Methyl isobutyrate is the fatty acid methyl ester of isobutyric acid. It has a role as a metabolite. It derives from an isobutyric acid.

Methyl isobutyrate Basic Attributes

Molecular Weight：

102.13

Exact Mass：

102.13

BRN：

1740720

EC Number：

208-929-5

UNII：

EM286QL922

NSC Number：

126780

DSSTox ID：

DTXSID5060275

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

1.06

Appearance：

Clear colorless Liquid

Density：

0.91131 g/cm³ @ Temp: 40 °C

Melting Point：

-84.7 °C

Boiling Point：

92.5 °C

Flash Point：

38 °F

Refractive Index：

1.385

Water Solubility：

H2O: slightly soluble ;alcohol: miscible

Storage Conditions：

Flammables area

Vapor Pressure：

49.26 mmHg

Toxicity：

Inhalation-Mouse LC50: 25500 mg/m3/ 2 hours

Flammability characteristics：

Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1237 3/PG 2

wgk germany：

hazard class code：

11-36/37/38-20-2017/11/20

safety instructions：

16-37/39-26-24/25

RTECS Number：

NQ5425000

Marks：

F,Xi,Xn

Storage features：

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids

Precautionary statement(s)：

P210

Hazard Statements：

H225-H332

GHS Classification：

|Danger|H225 (99.94%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1643 companies from 4 notifications to the ECHA C&L Inventory.

Toxicity

Toxicity class：

practically nontoxic

Drug Information

MeSH Entry Terms：

methyl 2-methylpropanoate

Methyl isobutyrate Use and Manufacturing

Methods of Manufacturing

Directly esterified by methanol and isobutyric acid.

Uses

Solvent. Organic Synthesis. Gas chromatography analysis standard.

Manufacturing Info：

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

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:102.13
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:102.068079557
Monoisotopic Mass:102.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Complexity:66.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Methyl isobutyl ketone

Methanol

Isobutyraldehyde

Isobutyric acid

Methyl Methacrylate

Downstream Products

Isobutanol

Methyl Methacrylate

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CAS No.: 547-63-7

Grade: Food Grade

Content: 99%

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Methyl isobutyrate 547-63-7

CAS No.: 547-63-7

Grade: Industrial Grade

Content: 99%

Inquiry

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Guide of Methyl isobutyrate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
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Methyl isobutyrate

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