6-Decenoic acid, 1-butyl-5-carboxypentyl ester

Base Information

• Chemical Name: 6-Decenoic acid, 1-butyl-5-carboxypentyl ester
• CAS No.: 85392-06-9
• Molecular Formula: C20H36O4
• Molecular Weight: 340.49744
• European Community (EC) Number: 286-864-1
• UNII: 2RP14H0G3N
• Nikkaji Number: J310.399D
• Wikidata: Q27255511
• Mol file: 85392-06-9.mol

Synonyms:UNII-QU767BKM8T;EINECS 286-864-1;6-(6-Decenoyloxy)decenoic acid;1-Butyl-5-carboxypentyl 6-decenoate;85392-06-9;QU767BKM8T;6-Decenoic acid, 1-butyl-5-carboxypentyl ester;2RP14H0G3N;6-(6-Decenoyloxy)decanoic acid;(6E)-6-(6-decenoyloxy)decenoic acid;FEMA NO. 4442, 6E-DECENOYLOXY-;6-((E)-DEC-6-ENOYL)OXYDECANOIC ACID;6-(6-DECENOYLOXY)DECENOIC ACID, (6E)-;Q27255511;6E-DECENOIC ACID, 1-BUTYL-5-CARBOXYPENTYL ESTER

Chemical Property of 6-Decenoic acid, 1-butyl-5-carboxypentyl ester

Chemical Property:

• Vapor Pressure: 8.25E-10mmHg at 25°C
• Boiling Point: 461.8°C at 760 mmHg
• Flash Point: 150.1°C
• PSA: 63.60000
• Density: 0.97g/cm³
• LogP: 5.65010
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 340.26135963
• Heavy Atom Count: 24
• Complexity: 350

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CCCCC(=O)O)OC(=O)CCCCC=CCCC
• Isomeric SMILES: CCCCC(CCCCC(=O)O)OC(=O)CCCC/C=C/CCC