4-Isopropyl-6-methyltetralone

Base Information

• Chemical Name: 4-Isopropyl-6-methyltetralone
• CAS No.: 57494-10-7
• Molecular Formula: C₁₄H₁₈O
• Molecular Weight: 202.296
• DSSTox Substance ID: DTXSID60423897
• Nikkaji Number: J1.133.049E
• Wikidata: Q67879560
• ChEMBL ID: CHEMBL4090724
• Mol file: 57494-10-7.mol

Synonyms:57494-10-7;10-nor-Calamenen-10-one;4-Isopropyl-6-methyltetral-1-one;4-Isopropyl-6-methyltetralone;4-ISOPROPYL-6-METHYL-1-TETRALONE;10-Norcalamenene-10-one;CHEMBL4090724;DTXSID60423897;KIZXBPVAPQXAMH-UHFFFAOYSA-N;E80189;Q67879560;4-isopropyl-6-methyl-1,2,3,4-tetrahydronaphthalen-1-one

Chemical Property of 4-Isopropyl-6-methyltetralone

Chemical Property:

• PSA: 17.07000
• LogP: 3.71110
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 202.135765193
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C(=O)CCC2C(C)C
• Uses: 4-Isopropyl-6-methyl-1-tetralone is an intermediate in the synthesis of (±)-cis-Calamenene (~7:1 ratio of cis/trans) (C124900), a sesquiterpene and a volatile metabolite from Salvia fruticosa plants. This compound may be a potential?antimicrobial, antifungal, and anti-inflammatory agent.