Propyl 2-methylisocrotonate

Base Information

• Chemical Name: Propyl 2-methylisocrotonate
• CAS No.: 53082-57-8
• Molecular Formula: C8H14 O2
• Molecular Weight: 142.19556
• European Community (EC) Number: 258-349-1
• DSSTox Substance ID: DTXSID501317118
• Nikkaji Number: J213.480B
• Mol file: 53082-57-8.mol

Synonyms:Propyl 2-methylisocrotonate;propyl angelate;53082-57-8;n-Propyl angelate;propyl (Z)-2-methylbut-2-enoate;2-Butenoic acid, 2-methyl-, propyl ester, (Z)-;EINECS 258-349-1;SCHEMBL2351899;RZWMDOQSXWAAMC-ALCCZGGFSA-N;DTXSID501317118;propyl (z)-2-methyl-2-butenoate;2-Methylisocrotonic acid propyl ester;2-Butenoic acid, 2-methyl-, propyl ester, (2Z)-

Chemical Property of Propyl 2-methylisocrotonate

Chemical Property:

• Vapor Pressure: 1.39mmHg at 25°C
• Boiling Point: 171.6°Cat760mmHg
• Flash Point: 58.3°C
• PSA: 26.30000
• Density: 0.902g/cm³
• LogP: 1.90580
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C(=CC)C
• Isomeric SMILES: CCCOC(=O)/C(=C\C)/C