Products 80-57-9

CAS 80-57-9 appears in our catalog under these names: Verbenone, 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one. Offered by: Dr. Ehrenstorfer, Chemat. Available pack sizes: 100mg.

Verbenone
Dr. Ehrenstorfer
  • size: 100mg
  • Variants: 1
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4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one
Chemat
  • size: 100mg
  • Variants: 1
from 1158.80
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Structural formula: {0} (CAS {1})

(S)-(-)-verbenone is a 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one in which both chiral centres have S configuration. It has a role as an expectorant. It is an enantiomer of a (R)-(+)-verbenone.

Source: ChEBI

Identity
Molecular formulaC10H14O
Molecular weight150.22 g/mol
IUPAC name(1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
InChIKeyDCSCXTJOXBUFGB-JGVFFNPUSA-N
SMILESCC1=CC(=O)[C@H]2C[C@@H]1C2(C)C

Computed by PubChem (NCBI)

Synonyms: (-)-Verbenone, Levoverbenone, (1S)-(-)-Verbenone, l-Verbenone, Pin-2-en-4-one, (S)-verbenone, Laevo-verbenone, Verbenone, (-)-, Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-, Verbenone, (1s)-
Related forms of this compound
(1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one C10H14O
(1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one C10H14O
Isomers (same molecular formula)
4-phenylbutan-2-ol C10H14O
(3-propan-2-ylphenyl)methanol C10H14O
[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methanol C10H14O
1-phenylbutan-2-ol C10H14O
2-phenylbutan-1-ol C10H14O
3-methyl-5-propan-2-ylphenol C10H14O
4-(2-methylpropyl)phenol C10H14O
4-butan-2-ylphenol C10H14O
1-ethoxy-4-ethylbenzene C10H14O
1-methyl-3-propoxybenzene C10H14O