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Methyl E-crotonate

Methyl E-crotonate structure

CAS No:
623-43-8
Formula:
C5H8O2
Chemical Name:
Methyl E-crotonate
Synonyms:
2-Butenoic acid,methyl ester,(2E)-;Crotonic acid,methyl ester,(E)-;2-Butenoic acid,methyl ester,(E)-;trans-2-Butenoic acid methyl ester;Methyl trans-crotonate;Methyl trans-2-butenoate;Methyl E-propene-1-carboxylate;Methyl E-crotonate;(E)-Crotonic acid methyl ester;Methyl (E)-2-butenoate;(E)-2-Butenoic acid methyl ester;(2E)-2-Butenoic acid methyl ester;(E)-Methyl but-2-enoate;Methyl (E)-crotonate
Categories:
Chemical Reagents > Organic Reagents

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Description

CLEAR COLOURLESS LIQUID

Methyl E-crotonate Basic Attributes

Molecular Weight：

100.12

Exact Mass：

100.12

BRN：

1720292

EC Number：

210-793-7

UNII：

3T02JIH93S

HScode：

29161980

Characteristics

PSA：

26.30000

XLogP3：

1.32

Appearance：

Clear colorless Liquid

Density：

0.9±0.1 g/cm3

Melting Point：

-42 °C

Boiling Point：

121 °C

Flash Point：

40 °F

Refractive Index：

1.414

Water Solubility：

H2O: IMMISCIBLE

Storage Conditions：

Flammables area

Toxicity：

Oral-Mouse LD50: 1600 mg/kg

Flammability characteristics：

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

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3272 3/PG 2

wgk germany：

hazard class code：

11-36/37/38

safety instructions：

16-26-36-9-33

RTECS Number：

GQ5710000

Marks：

F,Xi

Storage features：

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

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H225-H315-H319-H335

GHS Classification：

|Danger|H225 (99.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 166 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Methyl E-crotonate Use and Manufacturing

Methods of Manufacturing

It is obtained by esterification of crotonic acid and methanol. A reaction solution made up of 800 g crotonic acid, 1 L methanol, 130 g sulfuric acid, and 300 ml carbon tetrachloride is heated on a water bath, and the carbon tetrachloride is recovered after dehydration and esterification to obtain crude methyl crotonate. Then the unreacted crotonic acid in the crude product is washed with water, then washed with 5% sodium carbonate, and refined by vacuum distillation to obtain the finished product.

Uses

Used as a solvent

Manufacturing Info：

2-Butenoic acid, methyl ester, (2E)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:100.12
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:100.052429494
Monoisotopic Mass:100.052429494
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Complexity:84.1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 623-43-8

Grade: Industrial Grade

Content: 99%

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trans-Methyl crotonate

CAS No.: 623-43-8

Grade: Industrial Grade

Content: 99%

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