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502-44-3

502-44-3 structural image
Product Name: ε-Caprolactone
Formula: C6H10O2
Synonyms: 2-Oxepanone;ε-Caprolactone;gamma-Caprolactone;6-Hexanolactone;6-Caprolactone monomer
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 237 °C
Melting Point -1.5 °C
Flash Point 127 °C o.c.
Solubility Solubility in water: miscible
Density 1.07 g/cm³
Vapor Density Relative vapor density (air = 1): 3.9
Vapor Pressure 0.13 [mmHg]
LogP log Kow= 1.215 (calc)
Autoignition Temperature 204 °C
Kovats Retention Index 1859.6
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 P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
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.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 114.14 g/mol
XLogP3 0
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
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 88.5
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

Hexano-6-lactone is a epsilon-lactone that is oxepane substituted by an oxo group at position 2.