Nepetalactone

Base Information

• Chemical Name: Nepetalactone
• CAS No.: 490-10-8
• Molecular Formula: C10H14 O2
• Molecular Weight: 166.22
• European Community (EC) Number: 872-263-7
• DSSTox Substance ID: DTXSID80862022
• Nikkaji Number: J3.187.058E
• Wikipedia: Nepetalactone
• Wikidata: Q104667250
• Mol file: 490-10-8.mol

Synonyms:(4aS,7S,7aR)-nepetalactone;nepetalactone;nepetalactone, (4aalpha,7alpha,7abeta)-isomer;nepetalactone, (4aR-(4aalpha,7beta,7aalpha))-isomer

Chemical Property of Nepetalactone

Chemical Property:

• Vapor Pressure: 0.00677mmHg at 25°C
• Melting Point: 74°
• Refractive Index: nD25 1.4859
• Boiling Point: 270.6°Cat760mmHg
• Flash Point: 107.7°C
• PSA: 26.30000
• Density: 1.042g/cm³
• LogP: 2.10930
• Storage Temp.: Hygroscopic, Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Sparingly), Diethyl Ether (Sparingly), Ethyl Acetate (Slightly), Met
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 242

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C1C(=O)OC=C2C

Technology Process of Nepetalactone

There total 1 articles about Nepetalactone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ nepetalactone (490-10-8)

Guidance literature:

2-<1-Formyl-ethyl>-5-methyl-cyclopentancarbonsaeure, Erhitzen auf 200grad;

DOI:10.1246/bcsj.33.1737

Reference yield: 92.2%

nepetalactone (490-10-8) → dihydronepetalactone (490-09-5,21950-33-4) + optically inactive 2-isopropyl-5-methyl-cyclopentanecarboxylic acid (528-23-4)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In hexanes; at 25 ℃; for 0.17 - 4h; under 26852.7 Torr; Product distribution / selectivity;

Reference yield:

nepetalactone (490-10-8) → 4aβ,7α,7aβ-Nepetalactone (21651-53-6) + nepetalactone (21651-62-7) + (4aS,7S,7aS)-nepetalactone (17257-15-7)

Guidance literature:

Resolution of racemate;

Downstream raw materials:

4aβ,7α,7aβ-Nepetalactone

nepetalactone

(4aS,7S,7aS)-nepetalactone

dihydronepetalactone