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: 2026-04-03 14:17:14
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 | n |
| 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) |
 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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