ethyl (2S)-2-methylpentanoate

Base Information

• Chemical Name: ethyl (2S)-2-methylpentanoate
• CAS No.: 28959-02-6
• Molecular Formula: C8H16O2
• Molecular Weight: 144.214
• DSSTox Substance ID: DTXSID0051368
• Nikkaji Number: J84.248F
• Mol file: 28959-02-6.mol

Synonyms:ethyl (2S)-2-methylpentanoate;Valeric acid, 2-methyl-, ethyl ester, (+)-;28959-02-6;Ethyl (S)-2-methylpentanoate;starbld0003609;SCHEMBL8245481;DTXSID0051368;[S,(+)]-2-Methylvaleric acid ethyl ester;Pentanoic acid, 2-methyl-, ethyl ester, (2S)-

Chemical Property of ethyl (2S)-2-methylpentanoate

Chemical Property:

• Refractive Index: n20/D 1.403(lit.)
• Boiling Point: 153-152 °C(lit.)
• Flash Point: 103 °F
• PSA: 26.30000
• Density: 0.864 g/mL at 25 °C(lit.)
• LogP: 1.98570
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 99.4

Purity/Quality:

(S)-2-MethylvalericAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Statements: 10

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)C(=O)OCC
• Isomeric SMILES: CCC[C@H](C)C(=O)OCC