2-Ethylhexyl valerate

Base Information

• Chemical Name: 2-Ethylhexyl valerate
• CAS No.: 5451-87-6
• Molecular Formula: C13 H26 O2
• Molecular Weight: 214.34434
• European Community (EC) Number: 226-688-4
• NSC Number: 21872
• DSSTox Substance ID: DTXSID201314822
• Nikkaji Number: J210.503I
• Mol file: 5451-87-6.mol

Synonyms:2-Ethylhexyl valerate;2-Ethylhexyl pentanoate;5451-87-6;EINECS 226-688-4;Valeric acid, 2-ethylhexyl ester;Pentanoic acid, 2-ethylhexyl ester;starbld0008639;2-Ethylhexyl pentanoate #;SCHEMBL3849332;Valeric acid 2-ethylhexyl ester;pentanoic acid 2-ethylhexyl ester;DTXSID201314822;NSC21872;NSC 21872;NSC-21872;AS-77145;D93499

Chemical Property of 2-Ethylhexyl valerate

Chemical Property:

• Vapor Pressure: 0.0236mmHg at 25°C
• Melting Point: -42.3°C (estimate)
• Refractive Index: 1.4000 (estimate)
• Boiling Point: 248.9°Cat760mmHg
• Flash Point: 104.7°C
• PSA: 26.30000
• Density: 0.867g/cm³
• LogP: 3.93620
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 214.193280068
• Heavy Atom Count: 15
• Complexity: 155

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)CCCC

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