ALPHA-CARYOPHYLLENE Structure

ALPHA-CARYOPHYLLENE

Chemical Properties

Melting point <25 °C
Boiling point 166-168 °C(lit.)
Density  0.889 g/mL at 20 °C(lit.)
refractive index  n20/D 1.503(lit.)
Flash point 90°C
storage temp.  2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Liquid
color  Colourless
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)
FDA UNII 54W56MD2WD
EPA Substance Registry System 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)- (6753-98-6)
UNSPSC Code 85151701
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
RIDADR  NA 1993 / PGIII
WGK Germany  3
RTECS  GZ4817500
10-23
TSCA  TSCA listed
HS Code  29021990
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
2 0

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