1,1-Dimethyl-5-methyleneheptyl butyrate

Base Information

• Chemical Name: 1,1-Dimethyl-5-methyleneheptyl butyrate
• CAS No.: 96846-67-2
• Molecular Formula: C14H26O2
• Molecular Weight: 226.35504
• European Community (EC) Number: 306-303-7
• UNII: J8S16X2LBL
• DSSTox Substance ID: DTXSID00242589
• Nikkaji Number: J333.671I
• Mol file: 96846-67-2.mol

Synonyms:1,1-Dimethyl-5-methyleneheptyl butyrate;96846-67-2;J8S16X2LBL;EINECS 306-303-7;UNII-J8S16X2LBL;DTXSID00242589;PGZPJUINMYJERW-UHFFFAOYSA-N;NS00065426;BUTANOIC ACID, 1,1-DIMETHYL-5-METHYLENEHEPTYL ESTER

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

Chemical Property:

• Vapor Pressure: 0.00241mmHg at 25°C
• Boiling Point: 287.9°Cat760mmHg
• Flash Point: 88.4°C
• PSA: 26.30000
• Density: 0.877g/cm³
• LogP: 4.24480
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 226.193280068
• Heavy Atom Count: 16
• Complexity: 229

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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