2-Butenoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester

Base Information

• Chemical Name: 2-Butenoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester
• CAS No.: 20770-40-5
• Deprecated CAS: 57035-88-8,77750-02-8
• Molecular Formula: C15H26 O2
• Molecular Weight: 238.3657
• European Community (EC) Number: 244-019-4
• UNII: K61O222P3D
• DSSTox Substance ID: DTXSID40864961
• Nikkaji Number: J60.759B
• Wikidata: Q27281998
• RXCUI: 2046112
• Mol file: 20770-40-5.mol

Synonyms:citronellyl seneciate;senecioic acid citronellyl ester

Chemical Property of 2-Butenoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester

Chemical Property:

• Vapor Pressure: 0.000495mmHg at 25°C
• Refractive Index: 1.459
• Boiling Point: 313.5 °C at 760 mmHg
• Flash Point: 143.2 °C
• PSA: 26.30000
• Density: 0.893 g/cm³
• LogP: 4.26840
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 238.193280068
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

99%, ^*data from raw suppliers

2-BUTENOIC ACID, 3-METHYL-, 3,7-DIMETHYL-6-OCTENYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

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

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