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2308-18-1

2308-18-1 structural image
Product Name: ACETOACETIC ACID ISOAMYL ESTER
Formula: C9H16O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless liquid; ethereal, fruity, somewhat herbaceous, winey, fermented apple-like odour
Boiling Point 89.00 to 91.00 °C. @ 6.00 mm Hg
Solubility insoluble in water; soluble in alcohol
Density 0.954 (10°)
Refractive Index 1.426-1.433

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 172.22 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 172.109944368 g/mol
Monoisotopic Mass 172.109944368 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 161
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

3-Methylbutyl 3-oxobutanoate is an oxo carboxylic acid.