(-)-Verbenone

• Catalog Number: ACM1196016
• Product Name: (-)-Verbenone
• CAS: 1196-01-6
• Category: Heterocyclic Organic Compound
• Synonyms: (1S,5S)-Verbenone
• IUPAC Name: (1S,5S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one
• Molecular Weight: 150.22
• Molecular Formula: C10H14O
• Canonical SMILES: CC1=CC(=O)C2CC1C2(C)C
• InChI: InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1
• InChI Key: DCSCXTJOXBUFGB-JGVFFNPUSA-N
• Boiling Point: 227-228 °C(lit.)
• Flash Point: 185 °F
• Density: 0.975 g/mL at 20 °C(lit.)
• Solubility: Practically insoluble in water, soluble in non-polar solvents
• Appearance: Clear light yellow to yellow liquid
• Application: (-)-Verbenone is an important component of the essential oil from rosemary. It is also an insect pheromone with a spicy odor and camphoraceous fragrance.
• Storage: 2-8 °C
• Complexity: 248
• Exact Mass: 150.104465066
• Isomeric SMILES: CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
• Monoisotopic Mass: 150.104465066
• Refractive Index: n20/D 1.496(lit.)
• Safety Description: 24/25
• Topological Polar Surface Area: 17.1 Ų

Custom Q&A

What is the molecular formula of (-)-Verbenone?

The molecular formula of (-)-Verbenone is C10H14O.

What is the molecular weight of (-)-Verbenone?

The molecular weight of (-)-Verbenone is 150.22 g/mol.

What is the IUPAC name of (-)-Verbenone?

The IUPAC name of (-)-Verbenone is (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one.

What is the CAS number of (-)-Verbenone?

The CAS number of (-)-Verbenone is 1196-01-6.

What is the InChIKey of (-)-Verbenone?

The InChIKey of (-)-Verbenone is DCSCXTJOXBUFGB-JGVFFNPUSA-N.

What is the FEMA number of (-)-Verbenone?

The FEMA number of (-)-Verbenone is 4216.

What is the JECFA number of (-)-Verbenone?

The JECFA number of (-)-Verbenone is 1870.

What is the XLogP3-AA value of (-)-Verbenone?

The XLogP3-AA value of (-)-Verbenone is 1.6.

How many hydrogen bond donor counts does (-)-Verbenone have?

(-)-Verbenone has 0 hydrogen bond donor counts.

What is the topological polar surface area of (-)-Verbenone?

The topological polar surface area of (-)-Verbenone is 17.1?2.