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2305-05-7

2305-05-7 structural image
Product Name: 4-Dodecanolide
Formula: C12H22O2
Synonyms: (±)-γ-Octyl-γ-butyrolactone;(±)-4-Dodecanolide;(±)-Dihydro-5-octyl-2(3H)-furanone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless to pale yellow liquid with a fruity, peach-like, pear-like odour
Solubility 1 ml in 1 ml 95% alcohol (in ethanol)
Density 0.933-0.938
Refractive Index 1.451-1.456
Kovats Retention Index 1627.3 1640 1720 1630 1633 1636 1631 1632 1635 1635 1655 1647 1634 1645 1631 1635 1636

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements 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.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
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 198.30 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 7
Exact Mass 198.161979940 g/mol
Monoisotopic Mass 198.161979940 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 166
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-Dodecalactone is a natural product found in Nothomyrmecia macrops, Polygala senega, and other organisms with data available.