Undecyl butyrate

Base Information

• Chemical Name: Undecyl butyrate
• CAS No.: 5461-02-9
• Molecular Formula: C15H30 O2
• Molecular Weight: 0
• European Community (EC) Number: 226-743-2
• NSC Number: 23555
• UNII: KBA3GUX35N
• DSSTox Substance ID: DTXSID00203039
• Nikkaji Number: J183.071F
• Wikidata: Q63392693
• Metabolomics Workbench ID: 4068
• Mol file: 5461-02-9.mol

Synonyms:Undecyl butyrate;undecyl butanoate;Butanoic acid, undecyl ester;5461-02-9;KBA3GUX35N;NSC-23555;WE(11:0/4:0);UNII-KBA3GUX35N;Butyric acid undecyl ester;1-UNDECANOL, BUTYRATE;SCHEMBL10149467;DTXSID00203039;BUTYRIC ACID, UNDECYL ESTER;NSC23555;EINECS 226-743-2;LMFA07010423;NSC 23555;Q63392693

Chemical Property of Undecyl butyrate

Chemical Property:

• Vapor Pressure: 0.00208mmHg at 25°C
• Melting Point: -41°C (estimate)
• Refractive Index: 1.4109 (estimate)
• Boiling Point: 290.3°C at 760 mmHg
• Flash Point: 130°C
• PSA: 26.30000
• Density: 0.866g/cm³
• LogP: 4.86050
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 242.224580195
• Heavy Atom Count: 17
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCOC(=O)CCC

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