| Identification | More | [Name]
Cocal | [CAS]
21834-92-4 | [Synonyms]
2-PHENYL-5-METHYL-2-HEXENAL
5-METHYL-2-PHENYL-2-HEXENAL
5-METHYL-2-PHENYLHEX-2-ENAL
Cocal
FEMA 3199
(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+% &
5-METHYL-2-PHENYL-HEXENAL
5-METHYL-2-PHENYL-2-HEXENAL, NATURAL
5-Methyl-2-phenyl-2-hexenal, tech. 90%
α-(3-Methylbutylidene)benzeneacetaldehyde | [EINECS(EC#)]
244-602-3 | [Molecular Formula]
C13H16O | [MDL Number]
MFCD00036615 | [Molecular Weight]
188.27 | [MOL File]
21834-92-4.mol |
| Chemical Properties | Back Directory | [Boiling point ]
97-99°C 0,7mm | [density ]
0.973 g/mL at 25 °C(lit.)
| [vapor density ]
>1 (vs air)
| [FEMA ]
3199 | [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 | [Odor]
at 100.00 %. aldehydic bitter cocoa nut skin green sweet chocolate fruity butyric | [biological source]
synthetic | [Odor Type]
chocolate | [Sensitive ]
Air Sensitive | [JECFA Number]
1472 | [BRN ]
2043290 | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3 | [InChIKey]
YURDCJXYOLERLO-UHFFFAOYSA-N | [SMILES]
[H]C(C(C1=CC=CC=C1)=CCC(C)C)=O | [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]
21834-92-4(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H317 | [Precautionary statements ]
P280-P301+P312+P330-P302+P352 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/38:Irritating to eyes and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29122990 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1 |
| Hazard Information | Back Directory | [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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