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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene

Inventory

EC number:
201-746-1
EC name:
Caryophyllene
CAS number:
87-44-5
CAS number:
87-44-5
Synonyms
Names:
(E)-beta caryophyllene
Beta Caryophyllene
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R,4E,9S)]-
Caryophyllene
beta-Caryophyllene
Identifier:
IUPAC name
(1R,4E,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
Identifier:
IUPAC name
(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Identifier:
IUPAC name
Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-
Identifier:
IUPAC name
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R,4E,9S)]-
Identifier:
other: InChl
1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
Identifier:
other: SMILES notation
C(=CCCC(C(C(C1(C)C)C2)C1)=C)(C2)C
Identifier:
other: SMILES notation
C=C2CCC=C(C)CC[C@@H]1[C@@H]2CC1(C)C

Molecular and structural information

Molecular formula:
C15H24
Molecular weight:
204.351
SMILES notation:
C\C\1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1
InChl:
InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
13877-93-5