3-Methyl-2-butenal Chemical Properties

Melting point:

-20°C

Boiling point:

133-135 °C (lit.)

Density 

0.878 g/mL at 20 °C 0.872 g/mL at 25 °C (lit.)

vapor pressure 

7 mm Hg ( 20 °C)

refractive index 

n20/D 1.462(lit.)

FEMA 

3646 | 3-METHYL-2-BUTENAL

Flash point:

93 °F

storage temp. 

2-8°C

solubility 

soluble

form 

Liquid

color 

Clear colorless to light yellow

Odor

at 1.00 % in dipropylene glycol. sweet fruity pungent brown nutty almond cherry

Odor Type

fruity

biological source

synthetic

Water Solubility 

soluble

Sensitive 

Air Sensitive

Merck 

14,8448

JECFA Number

1202

BRN 

1734740

Major Application

flavors and fragrances

Cosmetics Ingredients Functions

PERFUMING

InChI

1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3

InChIKey

SEPQTYODOKLVSB-UHFFFAOYSA-N

SMILES

[H]C(=O)\C=C(\C)C

LogP

0.53 at 25℃

CAS DataBase Reference

107-86-8(CAS DataBase Reference)

NIST Chemistry Reference

3-methyl-2-butenal(107-86-8)

EPA Substance Registry System

2-Butenal, 3-methyl- (107-86-8)

Safety Information

Hazard Codes 

Xn,Xi,C

Risk Statements 

10-22-37/38-41-43-36/37/38-34-20/22-20/21/22

Safety Statements 

26-36-37/39-16-45-36/37/39

RIDADR 

UN 1989 3/PG 3

WGK Germany 

2

F 

9-13-23

TSCA 

TSCA listed

HazardClass 

3

PackingGroup 

III

HS Code 

29121900

Storage Class

3 - Flammable liquids

Hazard Classifications

Acute Tox. 3 Inhalation
Acute Tox. 4 Oral
Eye Dam. 1
Flam. Liq. 3
Skin Corr. 1B
Skin Sens. 1

MSDS

• Language:English Provider:Prenal
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

3-Methyl-2-butenal Usage And Synthesis

Description

3-Methyl-2-butenal has an almond odor.

Chemical Properties

3-Methyl-2-butenal has an almond odor

Chemical Properties

clear colorless to light yellow liquid

Uses

3-Methyl-2-butenal is used in small quantities as food flavor in alcoholic beverages, chewing gums, confection frosting, frozen dairy, fruit ice, gelatin pudding, hard and soft candy and jam jelly. Used in daily flavor, and cosmetic flavor in perfumes. A starting material for the synthesis of vitamin A.

Definition

ChEBI: An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1.

Taste threshold values

Taste characteristics at 25 ppm: sweet, fruity and green with a nutty and cherry background.

General Description

3-Methylcrotonaldehyde is an α, β-unsaturated aldehyde. Electrochemical dimerization of 3-methylcrotonaldehyde was reported. The hydrogenation of 3-methylcrotonaldehyde over Ru, Pt and Rh was investigated.

Purification Methods

This flammable oil oxidises readily and should be fractionated under N2. It should be stored under N2 and/or vacuum. The UV has max at 235.5nm. The semicarbazone has m 221-222o (from MeOH) and the 2,4-dinitrophenylhydrazone has m 184-185o (from MeOH). [Forbes & Skilton J Org Chem 24 436 1959, Beilstein 1 III 2990, 1 IV 3464.]

3-Methyl-2-butenal(107-86-8)Related Product Information

• 2,3-Dimethyl-2-butene
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