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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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:
2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene

Inventory

EC number:
229-816-7
EC name:
Humulene
CAS number:
6753-98-6
CAS number:
6753-98-6
Synonyms
Names:
.alpha.-Humulene
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-
Humulene
Identifier:
IUPAC name
1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
Identifier:
IUPAC name
2,6,6,9-tetramethylcycloundeca-1,4,8-triene
Identifier:
other: SMILES notation
CC\1(C\C=C(CC\C=C(C/C=C1)/C)/C)C
Identifier:
other: SMILES notation
C\C\1=C/CC(C)(C)\C=C\C\C(=C\CC1)\C
Identifier:
other: InChl
InChI=1/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

Molecular and structural information

Molecular formula:
C15H24
Molecular weight:
204.36
SMILES notation:
C\1=C/C(C)(C)C/C=C(/CC/C=C(/C/1)C)C
InChl:
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+
Structural formula:
Chemical structure

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