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698-76-0

698-76-0 structural image
Product Name: 5-Hydroxyoctanoic acid lactone
Formula: C8H14O2
Synonyms: 6-Propyltetrahydro-2H-pyran-2-one
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless to pale yellow liquid with a coconut-like odour
Density 0.994-0.999
Refractive Index 1.452-1.458
Kovats Retention Index 1250 1270 1252 1250 1243 1241 1252

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P321:Specific treatment (see … on this label).
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 142.20 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 142.099379685 g/mol
Monoisotopic Mass 142.099379685 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 120
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

Delta-octanolide is a delta-lactone.