1,1-Dimethyl-5-methyleneheptyl isobutyrate

Base Information

• Chemical Name: 1,1-Dimethyl-5-methyleneheptyl isobutyrate
• CAS No.: 96846-64-9
• Molecular Formula: C14H26 O2
• Molecular Weight: 226.35504
• European Community (EC) Number: 306-300-0
• UNII: LA0AT987PB
• DSSTox Substance ID: DTXSID20242586
• Nikkaji Number: J333.668I
• Wikidata: Q83126373
• Mol file: 96846-64-9.mol

Synonyms:1,1-Dimethyl-5-methyleneheptyl isobutyrate;96846-64-9;LA0AT987PB;EINECS 306-300-0;UNII-LA0AT987PB;DTXSID20242586;TVEVQXMPYUHNIH-UHFFFAOYSA-N;NS00065902;PROPANOIC ACID, 2-METHYL-, 1,1-DIMETHYL-5-METHYLENEHEPTYL ESTER

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

Chemical Property:

• Vapor Pressure: 0.00319mmHg at 25°C
• Boiling Point: 283.3°Cat760mmHg
• Flash Point: 85.3°C
• PSA: 26.30000
• Density: 0.875g/cm³
• LogP: 4.10070
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 226.193280068
• Heavy Atom Count: 16
• Complexity: 239

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)C(C)C

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