2-Phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol supplier

Name
4,6-O-BENZYLIDENE-D-GLUCAL
EINECS
CAS No. 14125-70-3
Article Data4
CAS DataBase
Density 1.259 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₄O₄
Boiling Point 420.9 °C at 760 mmHg
Molecular Weight 234.252
Flash Point 208.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms D-arabino-Hex-1-enopyranose,4,6-O-benzylidene-1,2-dideoxy- (8CI);Pyrano[3,2-d]-1,3-dioxin, D-arabino-hex-1-enitolderiv.;4,6-O-Benzylidene-D-glucal;2-Phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol;
PSA 96.22000
LogP -0.61780

2-Phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol Specification

The CAS register number of 2-Phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol is 14125-70-3. It also can be called as D-arabino-Hex-1-enitol,1,5-anhydro-2-deoxy-4,6-O-(phenylmethylene)- and the IUPAC name about this chemical is (2R,4aS,8R,8aS)-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol. The molecular formula about this chemical is C₁₃H₁₄O₄and molecular weight is 234.25.

Physical properties about 2-Phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol are: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): 1.75; (3)ACD/LogD (pH 7.4): 1.75; (4)ACD/BCF (pH 5.5): 12.66; (5)ACD/BCF (pH 7.4): 12.66; (6)ACD/KOC (pH 5.5): 214.19; (7)ACD/KOC (pH 7.4): 214.19; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 36.92Å²; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 60.78 cm³; (14)Molar Volume: 186 cm³; (15)Polarizability: 24.09x10^-24cm³; (16)Surface Tension: 49.8 dyne/cm; (17)Enthalpy of Vaporization: 71.14 kJ/mol; (18)Boiling Point: 420.9 °C at 760 mmHg; (19)Vapour Pressure: 7.79E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O2[C@H](O[C@H]1[C@H](O)/C=C\O[C@@H]1C2)c3ccccc3
(2)InChI: InChI=1/C13H14O4/c14-10-6-7-15-11-8-16-13(17-12(10)11)9-4-2-1-3-5-9/h1-7,10-14H,8H2/t10-,11-,12+,13-/m1/s1
(3)InChIKey: XMDUTBYCCVWPLD-FVCCEPFGBQ
(4)Std. InChI: InChI=1S/C13H14O4/c14-10-6-7-15-11-8-16-13(17-12(10)11)9-4-2-1-3-5-9/h1-7,10-14H,8H2/t10-,11-,12+,13-/m1/s1
(5)Std. InChIKey: XMDUTBYCCVWPLD-FVCCEPFGSA-N

Product Name

4,6-O-BENZYLIDENE-D-GLUCAL

2-Phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol Specification

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