Propanoic acid, 2,2-dimethyl-, 3-methyl-3-buten-1-yl ester

Base Information

• Chemical Name: Propanoic acid, 2,2-dimethyl-, 3-methyl-3-buten-1-yl ester
• CAS No.: 104468-21-5
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.25
• European Community (EC) Number: 415-610-6,687-613-2
• DSSTox Substance ID: DTXSID90888819
• Wikidata: Q82868561
• Mol file: 104468-21-5.mol

Synonyms:104468-21-5;Propanoic acid, 2,2-dimethyl-, 3-methyl-3-buten-1-yl ester;3-methylbut-3-enyl 2,2-dimethylpropanoate;Propanoic acid, 2,2-dimethyl-, 3-methyl-3-butenyl ester;2,2-dimethyl 3-methyl-3-butenyl propanoate;EC 415-610-6;3-METHYLBUT-3-EN-1-YL 2,2-DIMETHYLPROPANOATE;SCHEMBL4630388;DTXSID90888819;AKOS006286488;2,2-Dimethyl-3-methyl-3-butenyl propanoate

Chemical Property of Propanoic acid, 2,2-dimethyl-, 3-methyl-3-buten-1-yl ester

Chemical Property:

• PSA: 26.30000
• LogP: 2.54190
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 175

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 38-52/53
• Safety Statements: 37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CCOC(=O)C(C)(C)C