Product Name
2-Ethylbutyric Acid
Category
Heterocyclic Organic Compound
Synonyms
3-Pentanecarboxylic acid
IUPAC Name
2-Ethylbutanoic acid
Canonical SMILES
CCC(CC)C(=O)O
InChI
InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChI Key
OXQGTIUCKGYOAA-UHFFFAOYSA-N
Boiling Point
99-101 °C/18 mmHg(lit.)
Melting Point
(-16)-(-13) °C(lit.)
Density
0.92 g/mL at 25 °C(lit.)
Storage
Store below +30 °C
Defined Atom Stereocenter Count
0
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
1
Monoisotopic Mass
116.083729621
Refractive Index
n20/D 1.413(lit.)
Stability
Stable under normal temperatures and pressures.
Storage Conditions
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.
Topological Polar Surface Area
37.3 Ų