The Chemical and Physical Properties of 1,4-Dioxaspiro[4.5]decan-8-one

　　1,4-Dioxaspiro[4.5]decan-8-one,also know as 1,4-Cyclohexanedione monoethyleneacetal,
It can be used as Intermediates of Liquid Crystals.Next is a basic information of 1,4-Dioxaspiro[4.5]decan-8-one.

1,4-Dioxaspiro[4.5]decan-8-one,4746-97-8

1.Identification
Name:1,4-Dioxaspiro[4.5]decan-8-one (Related Reference)
EINECS:-0
Molecular Formula:C8H12O3
CAS Registry Number:4746-97-8
Synonyms:1,4-Cyclohexanedionecyclic ethylene monoketal; 1,4-Cyclohexanedione mono(ethylene ketal); 1,4-Cyclohexanedione, cyclic1,2-ethanediyl acetal; 1,4-Dioxaspiro[4.5]decane-8-one; 4-(Ethylenedioxy)cyclohexanone; Cyclohexane-1,4-dione mono(ethylene glycolketal); 1,4-Cyclohexanedione mono-ethylene ketal;
InChI:InChI=1/C8H12O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-6H2

2.Computed Properties
Molecular Weight:156.17908 [g/mol]
Molecular Formula:C8H12O3
XLogP3-AA:-0.1
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:156.078644
MonoIsotopic Mass:156.078644
Topological Polar Surface Area:35.5
Heavy Atom Count:11
Formal Charge:0
Complexity:158
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Ring Count:2
Effective Rotor Count:1.6
Conformer Sampling RMSD:0.4
CID Conformer Count:3　　

3.Chemical properties
Appearance:Off-white crystalline
Molecular Weight:156.18
Density:1.16 g/cm3
Boiling Point:112C
Melting Point:70-76℃
Flash Point:106.7 °C
Refractive index:1.489
Usage:Intermediates of Liquid Crystals