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alpha-Caryophyllene Structure

alpha-Caryophyllene

Chemical Properties

Melting point < 25 °C (77 °F; 298 K)
Boiling point 106 to 107 °C (223 to 225 °F; 379 to 380 K) at 5 mmHg
Density  0.886 g/cm3
refractive index  1.50
Flash point 90 °C
storage temp.  2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  clear liquid
color  Pale yellowish green
Odor at 100.00 %. woody
Odor Type woody
Merck  14,4753
BRN  3240075
Henry's Law Constant 2.9×10-4 mol/(m3Pa) at 25℃, Copolovici and Niinemets (2015)
Stability Light Sensitive
Major Application cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
InChI 1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
InChIKey FAMPSKZZVDUYOS-HRGUGZIWSA-N
SMILES C\C1=C/CC(C)(C)\C=C\C\C(C)=C\CC1
LogP 6.592 (est)
CAS DataBase Reference 6753-98-6(CAS DataBase Reference)
EPA Substance Registry System 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)- (6753-98-6)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
RIDADR  NA 1993 / PGIII
WGK Germany  3
RTECS  GZ4817500
F  10-23
TSCA  TSCA listed
HS Code  29021990
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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