1,1-Dimethyl-5-methyleneheptyl isovalerate

Base Information

• Chemical Name: 1,1-Dimethyl-5-methyleneheptyl isovalerate
• CAS No.: 96846-76-3
• Molecular Formula: C15H28O2
• Molecular Weight: 240.38162
• European Community (EC) Number: 306-312-6
• UNII: D3UW58K89K
• DSSTox Substance ID: DTXSID10242590
• Nikkaji Number: J333.677H
• Wikidata: Q83126381
• Mol file: 96846-76-3.mol

Synonyms:1,1-Dimethyl-5-methyleneheptyl isovalerate;96846-76-3;EINECS 306-312-6;D3UW58K89K;DTXSID10242590;YOUZPPOBZXKXHX-UHFFFAOYSA-N;NS00065511;1,1-Dimethyl-5-methyleneheptyl 3-methylbutanoate;Butanoic acid, 3-methyl-, 1,1-dimethyl-5-methyleneheptyl ester

Chemical Property of 1,1-Dimethyl-5-methyleneheptyl isovalerate

Chemical Property:

• Vapor Pressure: 0.0011mmHg at 25°C
• Boiling Point: 300.8°Cat760mmHg
• Flash Point: 87°C
• PSA: 26.30000
• Density: 0.874g/cm³
• LogP: 4.49080
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 240.208930132
• Heavy Atom Count: 17
• Complexity: 252

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C)CCCC(C)(C)OC(=O)CC(C)C

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