| Identification | More | [Name]
ALPHA-CARYOPHYLLENE | [CAS]
6753-98-6 | [Synonyms]
1,4,8-CYCLOUNDECATRIENE,2,6,6,9-TETRAMETHYL-, (E,E,E)-
A-CARYOPHYLLENE
A-CARYOPYLLENE
A-HUMULENE
ALPHA-CARYOPHYLLEN
ALPHA-CARYOPHYLLENE
ALPHA-HUMULENE
CARYOPHYLLENE
HUMULEN
HUMULENE
HUMULENE, ALPHA-
TRANS,TRANS,TRANS-2,6,6,9-TETRAMETHYL-1,4,8-CYCLOUNDECATRIENE
2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene
6,9-tetramethyl-1,4,8-cycloundecatriene(e,e,e)-6
8-cycloundecatriene,2,6,6,9-tetramethyl-,(e,e,e)-4
Cycloundeca-1,4,8-triene,2,6,6,9-tetramethyl-
CARYOPHYLLENE:1,4,8-CYCLOUNDECATRIENE,2,6,6,9-TETRAMETHYL-, (E,E,E)-,
C15 H24, alfa-Caryophyllen
α-humulene,(E,E,E)-2,6,6-(9-tetrametyl)-1,4,8-cycloundecatriene
α-caryphyllene
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)- | [EINECS(EC#)]
229-816-7 | [Molecular Formula]
C15H24 | [MDL Number]
MFCD00042689 | [Molecular Weight]
204.35 | [MOL File]
6753-98-6.mol |
| Chemical Properties | Back Directory | [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.)
| [Fp ]
90°C | [storage temp. ]
2-8°C
| [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
neat | [color ]
Colourless | [Odor]
at 100.00 %. woody | [Odor Type]
woody | [Merck ]
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) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [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 |
| Hazard Information | Back Directory | [Uses]
α-Humulene can be used in the formation of secondary organic aerosol by oxidation. | [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. | [Definition]
ChEBI: The (1E,4E,8E)-isomer of alpha-humulene. | [Synthesis Reference(s)]
Tetrahedron Letters, 34, p. 3675, 1993 DOI: 10.1016/S0040-4039(00)79198-2 | [General Description]
α-Humulene is a class of sesquiterpenes found in Cordia verbenacea essential oil. | [IC 50]
COX-2; iNOS |
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