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53398-85-9

53398-85-9 structural image
Product Name: cis-3-Hexenyl 2-methylbutanoate
Formula: C11H20O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description clear, colourless liquid
Boiling Point 95.00 °C. @ 30.00 mm Hg
Density 0.876-0.880
Refractive Index 1.428-1.434
Kovats Retention Index 1233.5 1224 1231 1240 1231 1218 1247 1217 1191 1231

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Environment
GHS09
GHS Hazard Statements H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 184.27 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 7
Exact Mass 184.146329876 g/mol
Monoisotopic Mass 184.146329876 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 162
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Cis-3-Hexenyl 2-methylbutanoate is a fatty acid ester.