3-Methyl-3-pentenyl salicylate

Base Information

• Chemical Name: 3-Methyl-3-pentenyl salicylate
• CAS No.: 65416-15-1
• Molecular Formula: C13H16 O3
• Molecular Weight: 220.26434
• European Community (EC) Number: 265-756-8
• UNII: 88W9DLJ27B
• DSSTox Substance ID: DTXSID5070315
• Nikkaji Number: J307.401C
• Mol file: 65416-15-1.mol

Synonyms:3-Methyl-3-pentenyl salicylate;65416-15-1;3-Methyl-3-penten-1-yl salicylate;EINECS 265-756-8;3-Methyl-3-penten-1-ol, salicylate;Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester;Benzoic acid, 2-hydroxy-, 3-methyl-3-penten-1-yl ester;DTXSID5070315;2-Hydroxybenzoic acid 3-methyl-3-pentenyl ester

Chemical Property of 3-Methyl-3-pentenyl salicylate

Chemical Property:

• Vapor Pressure: 0.000262mmHg at 25°C
• Boiling Point: 313.9°C at 760 mmHg
• Flash Point: 125.7°C
• PSA: 46.53000
• Density: 1.091g/cm³
• LogP: 2.90530
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)CCOC(=O)C1=CC=CC=C1O
• Isomeric SMILES: C/C=C(\C)/CCOC(=O)C1=CC=CC=C1O