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695-06-7

695-06-7 structural image
Product Name: 4-Hexanolide
Formula: C6H10O2
Synonyms: γ-Caprolactone;γ-Ethyl-γ-butyrolactone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid; [Alfa Aesar MSDS]
Boiling Point 100.00 to 102.00 °C. @ 18.00 mm Hg
Melting Point -18 °C
Solubility slightly
Density 1.020-1.025
Refractive Index 1.437-1.442
Kovats Retention Index 1019 1003 1006 1003 1020 1025 1079 1081 1009 1005 1003 1003 1007 1005 1005 1013 1008 1015 1003 1003 1003 1003 1032 1023 1010
Chemical Classes Other Classes -> Lactones

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H319:Serious eye damage/eye 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 114.14 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 114.068079557 g/mol
Monoisotopic Mass 114.068079557 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 98.7
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

Gamma-caprolactone is a gamma-lactone that is oxolan-2-one substituted by an ethyl group at position 5. It has a role as a human blood serum metabolite.