5-Methyl-2-phenyl-2-hexenal , 95%,asamixtureofisomers , 21834-92-4

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

PRODUCT 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.)
• 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
• Odor Type: chocolate
• biological source: synthetic
• 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: Benzeneacetaldehyde, .alpha.-(3-methylbutylidene)- (21834-92-4)

Description and Uses

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.

5-?Methyl-?2-?phenyl-?2-?hexenal is a major volatile compound found in fermented flour paste.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H317
• Precautionary statements: P280-P301+P312+P330-P302+P352
• PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
• Hazard Codes: Xi
• Risk Statements: 36/38
• Safety Statements: 26-36/37/39
• WGK Germany: 3
• TSCA: TSCA listed
• HS Code: 29122990
• Storage Class: 10 - Combustible liquids
• Hazard Classifications: Eye Irrit. 2; Skin Irrit. 2; Skin Sens. 1