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alpha-Hexylcinnamaldehyde Structure

alpha-Hexylcinnamaldehyde

Chemical Properties

Boiling point 174-176 °C/15 mmHg (lit.)
Density  0.95 g/mL at 25 °C (lit.)
FEMA  2569 | ALPHA-HEXYLCINNAMALDEHYDE
refractive index  n20/D 1.55(lit.)
Flash point 200 °F
storage temp.  -20°C
solubility  water: soluble0.005g/L at 25°C
form  Oil
color  Clear Yellow
Odor at 100.00 %. fresh floral green jasmin herbal waxy
Odor Type floral
biological source synthetic
JECFA Number 686
Stability Hygroscopic
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
InChIKey GUUHFMWKWLOQMM-NTCAYCPXSA-N
SMILES [H]C(=O)\C(CCCCCC)=C\c1ccccc1
LogP 5.33
CAS DataBase Reference 101-86-0(CAS DataBase Reference)
NIST Chemistry Reference Octanal, 2-(phenylmethylene)-(101-86-0)
EPA Substance Registry System .alpha.-Hexylcinnamaldehyde (101-86-0)

Safety Information

Hazard Codes  C,Xi
Risk Statements  36/37/38-34-43-52/53
Safety Statements  26-36/37/39-45-36-36/37-61
RIDADR  UN 3265 8/PG 3
WGK Germany  2
RTECS  GD6560000
TSCA  TSCA listed
HS Code  29122990
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 2
Skin Sens. 1
Toxicity The acute oral LD50 value in rats was reported as 3.1 g/kg (2.45-3.75 g/kg) (Moreno, 1971). The acute dermal LD50 value in rabbits was reported as > 3 g/kg (Moreno, 1971).

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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