D-alpha,beta-Cyclohexylideneglycerol supplier

Name
D-ALPHA BETA-CYCLOHEXYLIDENE-GLYCEROL
EINECS
CAS No. 95335-91-4
Article Data3
CAS DataBase
Density 1.13 g/cm³
Solubility
Melting Point
Formula C₉H₁₆O₃
Boiling Point 248.3 °C at 760 mmHg
Molecular Weight 172.224
Flash Point 138.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2S)-1,4-Dioxaspiro[4.5]decane-2-methanol;(S)-1,2-O-Cyclohexylideneglycerine;2,3-O-Cyclohexylidene-D-glycerol;(+)-1,4-Dioxaspiro[4.5]decane-2-methanol;(+)-(S)-1,4-Dioxaspiro[4.5]decane-2-methanol;1,4-Dioxaspiro[4.5]decane-2-methanol,(S)-;
PSA 38.69000
LogP 1.05450

D-alpha,beta-Cyclohexylideneglycerol Specification

The D-alpha,beta-Cyclohexylideneglycerol is an organic compound with the formula C₉H₁₆O₃. The systematic name of this chemical is 1,4-dioxaspiro[4.5]dec-2-ylmethanol. With the CAS registry number 95335-91-4, it is also named as 1,4-Dioxaspiro[4.5]decane-2-methanol.

Physical properties about D-alpha,beta-Cyclohexylideneglycerol are: (1)ACD/LogP: 1.11; (2)ACD/LogD (pH 5.5): 1.11; (3)ACD/LogD (pH 7.4): 1.11; (4)ACD/BCF (pH 5.5): 4.08; (5)ACD/BCF (pH 7.4): 4.08; (6)ACD/KOC (pH 5.5): 95.21; (7)ACD/KOC (pH 7.4): 95.21; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 27.69 Å²; (12)Index of Refraction: 1.502; (13)Molar Refractivity: 44.63 cm³; (14)Molar Volume: 151.2 cm³; (15)Polarizability: 17.69×10^-24cm³; (16)Surface Tension: 41.3 dyne/cm; (17)Density: 1.13 g/cm³; (18)Flash Point: 138.3 °C; (19)Enthalpy of Vaporization: 56.4 kJ/mol; (20)Boiling Point: 248.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00396 mmHg at 25°C.

Preparation: this chemical can be prepared by cyclohexanone and propane-1,2,3-triol. This reaction will need reagent p-toluenesulfonic acid and solvent toluene. The reaction time is 2 hours by heating. The yield is about 69%.

You can still convert the following datas into molecular structure:
(1)SMILES: O1CC(OC12CCCCC2)CO
(2)InChI: InChI=1/C9H16O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8,10H,1-7H2
(3)InChIKey: XUGYZVQSZWPABZ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H16O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8,10H,1-7H2
(5)Std. InChIKey: XUGYZVQSZWPABZ-UHFFFAOYSA-N

Product Name

D-ALPHA BETA-CYCLOHEXYLIDENE-GLYCEROL

D-alpha,beta-Cyclohexylideneglycerol Specification

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