(S)-cis-Verbenol

• CAS: 18881-04-4
• Catalog Number: ACM18881044
• Category: Insect Pheromone
• Molecular Weight: 152.23
• Molecular Formula: C10H16O
• Synonyms: 1,2,4-Trimethyl-5-[2-(2,4,5-trimethylphenyl)ethyl]benzene
• IUPAC Name: (1S,2S,5S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol
• Canonical SMILES: CC1=CC(C2CC1C2(C)C)O
• InChI: InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m0/s1
• InChI Key: WONIGEXYPVIKFS-YIZRAAEISA-N
• Boiling Point: 214.9±9.0 °C
• Melting Point: 62-65 °C(lit.)
• Flash Point: 84.5 °C
• Density: 1.002±0.06 g/cm³
• Appearance: Powder
• Application: (S)-cis-Verbenol (cas# 18881-04-4) is used as a pheromone dispenser and in the method for trapping harmful forest, horticultural and agricultural insects.
• Complexity: 215
• EC Number: 242-645-2
• Exact Mass: 152.12011513
• Hazard Statements: Xi: Irritant
• Isomeric SMILES: CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)O
• Monoisotopic Mass: 152.12011513
• pKa: 14.56±0.60(Predicted)
• Refractive Index: 1.511
• Safety Description: 26-36
• Topological Polar Surface Area: 20.2 Ų
• WGK Germany: 3

Custom Q&A

What is the molecular formula of (S)-cis-Verbenol?

The molecular formula of (S)-cis-Verbenol is C10H16O.

What is the molecular weight of (S)-cis-Verbenol?

The molecular weight of (S)-cis-Verbenol is 152.23 g/mol.

What are some synonyms for (S)-cis-Verbenol?

Some synonyms for (S)-cis-Verbenol are 18881-04-4, (1S,2S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol, and Verbenol, (S)-cis-.

What is the InChIKey for (S)-cis-Verbenol?

The InChIKey for (S)-cis-Verbenol is WONIGEXYPVIKFS-YIZRAAEISA-N.

How many hydrogen bond donor counts does (S)-cis-Verbenol have?

(S)-cis-Verbenol has 1 hydrogen bond donor count.

What is the topological polar surface area of (S)-cis-Verbenol?

The topological polar surface area of (S)-cis-Verbenol is 20.2 2.

What is the formal charge of (S)-cis-Verbenol?

The formal charge of (S)-cis-Verbenol is 0.

How many defined atom stereocenter counts does (S)-cis-Verbenol have?

(S)-cis-Verbenol has 3 defined atom stereocenter counts.

What is the IUPAC name of (S)-cis-Verbenol?

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

In which organisms can (S)-cis-Verbenol be found?

(S)-cis-Verbenol can be found in Tanacetum parthenium, Chrysanthemum indicum, and other organisms with available data.