ChemicalBook--->CAS DataBase List--->26643-91-4

26643-91-4

26643-91-4 Structure

26643-91-4 Structure
IdentificationMore
[Name]

4-METHYL-2-PHENYL-2-PENTENAL
[CAS]

26643-91-4
[Synonyms]

2-PHENYL-4-METHYLPENT-2-ENAL
4-METHYL-2-PHENYL-2-PENTENAL
4-METHYL-2-PHENYLPENT-2-ENAL
FEMA 3200
.alpha.-(2-methylpropylidene)-Benzeneacetaldehyde
alpha-(2-methylpropylidene)-benzeneacetaldehyd
4-METHYL-2-PHENYL-2-PENTENAL 88+% &
Benzeneacetaldehyde, .alpha.-(2-methylpropylidene)-
4-methyl-2-phenyl-2-pentenal, (e)+(z)
2-Pentenal, 4-methyl-2-phenyl-
4-METHYL-2-PHENYL-2-PENTENAL, (E)+(Z), 90+%
2-Phenyl-4-methyl-2-pentenal
α-(2-Methylpropylidene)benzeneacetaldehyde
[EINECS(EC#)]

247-869-4
[Molecular Formula]

C12H14O
[MDL Number]

MFCD00051834
[Molecular Weight]

174.24
[MOL File]

26643-91-4.mol
Chemical PropertiesBack Directory
[Boiling point ]

96 °C0.7 mm Hg(lit.)
[density ]

0.983 g/mL at 25 °C(lit.)
[FEMA ]

3200
[refractive index ]

n20/D 1.536(lit.)
[Fp ]

>230 °F
[Odor]

at 100.00 %. sweet cocoa nutty rose powdery
[biological source]

synthetic
[Odor Type]

chocolate
[Sensitive ]

Air Sensitive
[JECFA Number]

1473
[BRN ]

2042583
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8+
[InChIKey]

ULRYRAHIBWLZKC-XYOKQWHBSA-N
[SMILES]

CC(C)\C=C(/C=O)c1ccccc1
[LogP]

3.55
[CAS DataBase Reference]

26643-91-4(CAS DataBase Reference)
[EPA Substance Registry System]

Benzeneacetaldehyde, .alpha.-(2-methylpropylidene)- (26643-91-4)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

Yes
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Description]

4-Methyl-2-phenyl-2-pentenal has a cocoa aroma. It is often used in chocolate and cocoα-type flavors. May be prepared by aldolic condensation of the corresponding aldehydes in the presence of a basic catalyst.
[Chemical Properties]

4-Methyl-2-phenyl-2-pentenal has a cocoa aroma. It is often used in chocolate and cocoa-type flavors.
[Occurrence]

Reported found in baked and fried potato, peppermint oil, cocoa, black tea, roasted filberts, potato chips, sesame seed and malt
[Uses]

GB 2760 (1996) specifies 4-METHYL-2-PHENYL-2-PENTENAL as a permitted food flavoring. It is used in the formulation of chocolate and cocoa flavorings.
[Preparation]

By aldolic condensation of the corresponding aldehydes in the presence of a basic catalyst
[Taste threshold values]

Taste characteristics at 20 ppm: floral, sweet, waxy and cocoa-like with a honey nuance
Spectrum DetailBack Directory
[Spectrum Detail]

4-METHYL-2-PHENYL-2-PENTENAL(26643-91-4)IR
4-METHYL-2-PHENYL-2-PENTENAL(26643-91-4)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Methyl-2-phenyl-2-pentenal, (E)+(Z), 90+%(26643-91-4)
[Sigma Aldrich]

26643-91-4(sigmaaldrich)
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