| Cocal Basic information |
| Product Name: | Cocal |
| Synonyms: | FEMA 3199;Cocal;2-PHENYL-5-METHYL-2-HEXENAL;5-METHYL-2-PHENYLHEX-2-ENAL;5-METHYL-2-PHENYL-2-HEXENAL;(2E)-5-Methyl-2-phenyl-2-hexenal;.alpha.-(3-methylbutylidene)-Benzeneacetaldehyde;alpha-(3-methylbutylidene)-benzeneacetaldehyd |
| CAS: | 21834-92-4 |
| MF: | C13H16O |
| MW: | 188.27 |
| EINECS: | 244-602-3 |
| Product Categories: | Alphabetical Listings;Flavors and Fragrances;Pharmaceutical Raw Materials;M-N |
| Mol File: | 21834-92-4.mol |
| Cocal Chemical Properties |
| Boiling point | 97-99°C 0,7mm |
| density | 0.973 g/mL at 25 °C(lit.) |
| vapor density | >1 (vs air) |
| refractive index | n |
| FEMA | 3199 | 5-METHYL-2-PHENYL-2-HEXENAL |
| Fp | >230 °F |
| storage temp. | Inert atmosphere,Store in freezer, under -20°C |
| form | clear liquid |
| color | Light yellow to Yellow to Orange |
| 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 |
| Hazard Codes | Xi |
| Risk Statements | 36/38 |
| Safety Statements | 26-36/37/39 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29122990 |
| MSDS Information |
| Provider | Language |
|---|---|
| SigmaAldrich | English |
| ALFA | English |
| 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. |
| Preparation | From phenyl acetaldehyde and isopropyl acetaldehyde by aldolic condensation |
| Cocal Preparation Products And Raw materials |
| Raw materials | Phenylacetaldehyde |
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