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591-68-4

591-68-4 structural image
Product Name: BUTYL VALERATE
Formula: C9H18O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 185.80 °C. @ 760.00 mm Hg
Melting Point -92.8 °C
Solubility slightly
Density 0.861-0.871(d20/4)
Refractive Index 1.408-1.416
Kovats Retention Index 1063 1076 1085 1063 1063 1075 1074 1063 1063 1073.4

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 158.24 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 7
Exact Mass 158.130679813 g/mol
Monoisotopic Mass 158.130679813 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 99.7
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Butyl pentanoate is a fatty acid ester.