Isovaleric acid, 2-bornyl ester

Base Information

• Chemical Name: Isovaleric acid, 2-bornyl ester
• CAS No.: 76-50-6
• Molecular Formula: C15H26 O2
• Molecular Weight: 238.41
• European Community (EC) Number: 261-849-2
• NSC Number: 68007
• Mol file: 76-50-6.mol

Synonyms:Bornyval;Hysterol;BORNYL ISOVALERATE;Isovaleric acid, 2-bornyl ester;2-Bornyl 3-methylbutyrate;NSC-68007;NSC68007

Chemical Property of Isovaleric acid, 2-bornyl ester

Chemical Property:

• Appearance/Colour: colorless light yellow liquid
• Vapor Pressure: 0.0121mmHg at 25°C
• Refractive Index: n20/D 1.46(lit.)
• Boiling Point: 255-260 ºC
• Flash Point: >110 ºC
• PSA: 26.30000
• Density: 0.949
• LogP: 3.79050
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 238.193280068
• Heavy Atom Count: 17
• Complexity: 319

Purity/Quality:

99%, ^*data from raw suppliers

BORNYL ISOVALERATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CC(=O)OC1CC2CCC1(C2(C)C)C
• Isomeric SMILES: CC(C)CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C2(C)C)C