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Structure

Hexyl isobutyrate

CAS
2349-07-7
Catalog Number
ACM2349077
Category
Other Products
Molecular Weight
172.26
Molecular Formula
C10H20O2

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Specification

Synonyms
Propanoic acid, 2-methyl-, hexyl ester
IUPAC Name
Hexyl-2-methylpropionate
Canonical SMILES
CCCCCCOC(=O)C(C)C
InChI
InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3
InChI Key
CYHBDKTZDLSRMY-UHFFFAOYSA-N
Boiling Point
202.6 °C
Melting Point
-78 °C
Flash Point
164 °F
Density
0.86 g/mL at 25 °C(lit.)
Exact Mass
172.146329876
Monoisotopic Mass
172.146329876
Physical State
Liquid
Refractive Index
n20/D 1.413(lit.)
Storage Conditions
Dry place,Room Temperature
Topological Polar Surface Area
26.3 Ų
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