2-Propenoic acid, [4-(hydroxymethyl)cyclohexyl]methyl ester

Base Information

• Chemical Name: 2-Propenoic acid, [4-(hydroxymethyl)cyclohexyl]methyl ester
• CAS No.: 23117-36-4
• Molecular Formula: C11H18 O3
• Molecular Weight: 198.262
• European Community (EC) Number: 846-400-6
• DSSTox Substance ID: DTXSID20885230
• Nikkaji Number: J1.110.277H
• Mol file: 23117-36-4.mol

Synonyms:23117-36-4;2-Propenoic acid, [4-(hydroxymethyl)cyclohexyl]methyl ester;[4-(hydroxymethyl)cyclohexyl]methyl Prop-2-enoate;1,4-cyclohexanedimethanol monoacrylate;2-Propenoic acid, (4-(hydroxymethyl)cyclohexyl)methyl ester;SCHEMBL93519;SCHEMBL20685518;DTXSID20885230;URLYGBGJPQYXBN-UHFFFAOYSA-N;1,4-CyclohexanedimethanolMonoacrylate

Chemical Property of 2-Propenoic acid, [4-(hydroxymethyl)cyclohexyl]methyl ester

Chemical Property:

• Vapor Pressure: 0.000173mmHg at 25°C
• Boiling Point: 294.2°C at 760 mmHg
• PKA: 15.05±0.10(Predicted)
• Flash Point: 118.5°C
• PSA: 46.53000
• Density: 1.02g/cm³
• LogP: 1.51430
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 198.125594432
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(=O)OCC1CCC(CC1)CO