Cocal Chemical Properties

Boiling point:

97-99°C 0,7mm

Density 

0.973 g/mL at 25 °C(lit.)

vapor density 

>1 (vs air)

FEMA 

3199 | 5-METHYL-2-PHENYL-2-HEXENAL

refractive index 

n20/D 1.534(lit.)

Flash point:

>230 °F

storage temp. 

Inert atmosphere,Store in freezer, under -20°C

form 

clear liquid

color 

Light yellow to Yellow to Orange

Odor

at 100.00 %. aldehydic bitter cocoa nut skin green sweet chocolate fruity butyric

Odor Type

chocolate

biological source

synthetic

Sensitive 

Air Sensitive

JECFA Number

1472

BRN 

2043290

LogP

4.09

CAS DataBase Reference

21834-92-4(CAS DataBase Reference)

NIST Chemistry Reference

5-Methyl-2-phenyl-2-hexenal(21834-92-4)

EPA Substance Registry System

Benzeneacetaldehyde, .alpha.-(3-methylbutylidene)- (21834-92-4)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/38

Safety Statements 

26-36/37/39

WGK Germany 

3

TSCA 

Yes

HS Code 

29122990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Cocal Usage And Synthesis

Description

5-Methyl-2-phenyl-2-hexenal has a cocoa aroma. It is often used in chocolate and cocoα-type flavors. May be prepared from phenyl acetaldehyde and isopropyl acetaldehyde by aldolic condensation.

Chemical Properties

5-Methyl-2-phenyl-2-hexenal has a cocoa aroma. It is used in chocolate and cocoa-type flavors

Occurrence

Reported found in the neutral volatile fraction of roasted peanuts, in peppermint oil, pork liver, cocoa, tea, roasted filberts, sesame seed, malt, wort and cocoa liquor

Uses

5-?Methyl-?2-?phenyl-?2-?hexenal is a major volatile compound found in fermented flour paste.

Definition

ChEBI: (2E)-5-methyl-2-phenylhex-2-enal is a member of phenylacetaldehydes.

Preparation

From phenyl acetaldehyde and isopropyl acetaldehyde by aldolic condensation

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