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HomeProduct name listCocal

Cocal

Synonym(s):2-Phenyl-5-methylhex-2-enal;Cocal;cocoa hexenal

  • CAS NO.:21834-92-4
  • Empirical Formula: C13H16O
  • Molecular Weight: 188.27
  • MDL number: MFCD00036615
  • EINECS: 244-602-3
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-31 13:32:20
Cocal Structural

What is Cocal?

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

The Uses of Cocal

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

Preparation

From phenyl acetaldehyde and isopropyl acetaldehyde by aldolic condensation

Definition

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

Properties of Cocal

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
Sensitive  Air Sensitive
JECFA Number 1472
BRN  2043290
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 for Cocal

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.

Computed Descriptors for Cocal

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