695-06-7
Product Name:
4-Hexanolide
Formula:
C6H10O2
Synonyms:
γ-Caprolactone;γ-Ethyl-γ-butyrolactone
Inquiry
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.