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Structure

2-Methylbutyl 2-methylbutyrate

CAS
2445-78-5
Catalog Number
ACM2445785
Category
Other Products
Molecular Weight
172.26
Molecular Formula
C10H20O2

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Specification

Synonyms
Butanoic acid, 2-methyl-, 2-methylbutyl ester
IUPAC Name
2-Methylbutyl 2-methylbutanoate
Canonical SMILES
CCC(C)COC(=O)C(C)CC
InChI
InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3
InChI Key
PVYFCGRBIREQLL-UHFFFAOYSA-N
Boiling Point
70-72 °C
Flash Point
153 °F
Density
0.855 g/mL at 25 °C(lit.)
Exact Mass
172.146329876
Monoisotopic Mass
172.146329876
Physical State
Liquid
Refractive Index
n20/D 1.411-1.417(lit.)
Topological Polar Surface Area
26.3 Ų
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