3-Hydroxyheptyl acetate

Base Information

• Chemical Name: 3-Hydroxyheptyl acetate
• CAS No.: 39920-56-4
• Molecular Formula: C9H18O3
• Molecular Weight: 174.27
• DSSTox Substance ID: DTXSID50960448
• Nikkaji Number: J33.461H
• Mol file: 39920-56-4.mol

Synonyms:3-hydroxyheptyl acetate;39920-56-4;Acetic acid, 3-heptanol ester;1-Ethylamylester kyseliny octove;ACETIC ACID, 3-HYDROXYHEPTYL ESTER;1-Ethylamylester kyseliny octove [Czech];1,3-Heptanediol 1-acetate;1,3-Heptanediol, 1-acetate;SCHEMBL3249672;DTXSID50960448

Chemical Property of 3-Hydroxyheptyl acetate

Chemical Property:

• Vapor Pressure: 0.0453mmHg at 25°C
• Refractive Index: 1.4300 (estimate)
• Boiling Point: 209.9°Cat760mmHg
• Flash Point: 72.3°C
• PSA: 46.53000
• Density: 0.976g/cm³
• LogP: 1.49070
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 174.125594432
• Heavy Atom Count: 12
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CCOC(=O)C)O