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21188-58-9

21188-58-9 structural image
Product Name: 3-Hydroxyhexanoic Acid Methyl Ester
Formula: C7H14O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless to pale yellow liquid
Boiling Point 220.00 to 221.00 °C. @ 760.00 mm Hg
Solubility insoluble in water and fat
Density 0.994-1.010
Refractive Index 1.410-1.440
Kovats Retention Index 1026 1026 1031 1019 1026 1029

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H318:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 146.18 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 146.094294304 g/mol
Monoisotopic Mass 146.094294304 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 101
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Methyl 3-hydroxyhexanoate is a 3-hydroxy carboxylic acid.