α-Caryophyllene , >93.0% , 6753-98-6

Synonym(s):
α-Caryophyllene;trans,trans,trans-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene;alpha-Humulene

CAS NO.：6753-98-6

Empirical Formula: C15H24

Molecular Weight: 204.35

MDL number: MFCD00042689

EINECS: 229-816-7

PRODUCT 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
• 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)

Description and Uses

α-Humulene has been used as a reference standard for the determination of isomers of α-humulene in copaiba oleoresin species by high performance liquid chromatography method using the Box-Behnken design.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P302+P352-P305+P351+P338
• target organs: Respiratory system
• 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