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] |
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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 |
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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 |
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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.