Neryl 2-methylbutyrate

Base Information

• Chemical Name: Neryl 2-methylbutyrate
• CAS No.: 51117-19-2
• Molecular Formula: C15H26 O2
• Molecular Weight: 238.36574
• European Community (EC) Number: 256-994-3
• DSSTox Substance ID: DTXSID50885940
• Nikkaji Number: J422.563E
• Mol file: 51117-19-2.mol

Synonyms:neryl -(S)-2-methylbutanoate;neryl 2-methylbutanoate

Chemical Property of Neryl 2-methylbutyrate

Chemical Property:

• Vapor Pressure: 0.00054mmHg at 25°C
• Boiling Point: 312.1°Cat760mmHg
• Flash Point: 97.5°C
• PSA: 26.30000
• Density: 0.893g/cm³
• LogP: 4.26840
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 238.193280068
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)OCC=C(C)CCC=C(C)C
• Isomeric SMILES: CCC(C)C(=O)OC/C=C(/C)\CCC=C(C)C