Structure

Butyl valerate

CAS
591-68-4
Catalog Number
ACM591684
Category
Other Products
Molecular Weight
158.24
Molecular Formula
C9H18O2

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Specification

Synonyms
Valeric acid, butyl ester
IUPAC Name
Butyl pentanoate
Canonical SMILES
CCCCC(=O)OCCCC
InChI
InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
InChI Key
OKJADYKTJJGKDX-UHFFFAOYSA-N
Boiling Point
186-187 °C
Melting Point
-92.8 °C
Flash Point
152 °F
Density
0.868 g/mL at 25 °C(lit.)
Solubility
Soluble in propylene glycol; slightly soluble in water
Exact Mass
158.130679813
Monoisotopic Mass
158.130679813
Odor
Apple-raspberry odor
Physical State
Liquid
Refractive Index
n20/D 1.412(lit.)
Storage Conditions
Dry place,Room Temperature
Topological Polar Surface Area
26.3 Ų
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