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104-50-7

104-50-7 structural image
Product Name: gamma-Octanoic lactone
Formula: C8H14O2
Synonyms: 4-Hydroxy octanoic acid;Octano-1,4-lactone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 234.00 °C. @ 760.00 mm Hg
Solubility slightly
Density 0.970-0.980
Refractive Index 1.443-1.447
Kovats Retention Index 1220 1221 1209 1223.8 1225 1210 1211 1208 1210 1210 1216 1218 1229 1230 1236 1236 1208 1208 1250 1215 1225 1225 1216 1215 1210 1230 1213 1215 1218 1218 1210 1209 1210 1230 1243 1214 1224
Chemical Classes Other Classes -> Lactones

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H303:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 142.20 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
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

Gamma-octalactone is a gamma-lactone that is oxolan-2-one substituted by a butyl group at position 5. It is a volatile compound found in peaches, mangoes, beef and ham. It has a role as a fungal metabolite, a mouse metabolite, a mammalian metabolite, an insect attractant, a plant metabolite and a flavouring agent. It is a gamma-lactone, a tetrahydrofuranone and a volatile organic compound.