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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.)
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)

Safety Information

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

MSDS

Usage And Synthesis

Preparation Products And Raw materials

Cocal Supplier

Cocal manufacturers