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Cocal

Cocal Basic information
Product Name:Cocal
Synonyms:FEMA 3199;Cocal;2-PHENYL-5-METHYL-2-HEXENAL;(2E)-5-Methyl-2-phenyl-2-hexenal;.alpha.-(3-methylbutylidene)-Benzeneacetaldehyde;alpha-(3-methylbutylidene)-benzeneacetaldehyd;Benzeneacetaldehyde, alpha-(3-methylbutylidene)-;5-METHYL-2-PHENYL-2-HEXENAL 96+% &
CAS:21834-92-4
MF:C13H16O
MW:188.27
EINECS:244-602-3
Product Categories:Alphabetical Listings;Flavors and Fragrances;M-N;Pharmaceutical Raw Materials
Mol File:21834-92-4.mol
Cocal Structure
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.)
Fp >230 °F
storage temp. Inert atmosphere,Store in freezer, under -20°C
form clear liquid
color Light yellow to Yellow to Orange
Odorat 100.00 %. aldehydic bitter cocoa nut skin green sweet chocolate fruity butyric
Odor Typechocolate
Sensitive Air Sensitive
JECFA Number1472
BRN 2043290
LogP4.09
CAS DataBase Reference21834-92-4(CAS DataBase Reference)
NIST Chemistry Reference5-Methyl-2-phenyl-2-hexenal(21834-92-4)
EPA Substance Registry SystemBenzeneacetaldehyde, .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
ProviderLanguage
SigmaAldrich English
ALFA English
Cocal Usage And Synthesis
Description5-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 Properties5-Methyl-2-phenyl-2-hexenal has a cocoa aroma. It is used in chocolate and cocoa-type flavors
OccurrenceReported 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
Uses5-?Methyl-?2-?phenyl-?2-?hexenal is a major volatile compound found in fermented flour paste.
PreparationFrom phenyl acetaldehyde and isopropyl acetaldehyde by aldolic condensation
DefinitionChEBI: (2E)-5-methyl-2-phenylhex-2-enal is a member of phenylacetaldehydes.
Cocal Preparation Products And Raw materials
Raw materialsPhenylacetaldehyde
RARECHEM AL BI 0267 Chlorodimethylphenylsilane Methyl Methyltriphenylphosphonium bromide Bensulfuron methyl Cocal Parathion-methyl AKOS BC-1510 2,3-Butanedione METHACROLEIN-DNPH, 1X1ML, ACN 100UG/ML Kresoxim-methyl PHENYL VALERATE RARECHEM AL BE 0267 Thiophanate-methyl 5-Spiro(N-acetyl-2-oxoindan-3-yl)-[3,4-d]succinic anhydride-N-acetyl-4,5-dihydrobenzo[cd]indol-2(1H)-one glycoprotein G, Cocal virus Methyl acrylate Trimethylphenylammonium chloride
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