CAS No.1708-40-3,1,3-O-BENZYLIDENEGLYCEROL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1708-40-3
Name:	1,3-O-BENZYLIDENEGLYCEROL
Article Data:	96

Formula:	C₁₀H₁₂O₃
Molecular Weight:	180.203
Synonyms:	m-Dioxan-5-ol,2-phenyl- (6CI,7CI,8CI);1,3-Benzylideneglycerol;1,3-O-Benzylideneglycerol;2-Phenyl-1,3-dioxan-5-ol;2-Phenyl-1,3-dioxinan-5-ol;Benzaldehyde cyclic 2-hydroxytrimethyleneacetal;NSC 97343;
EINECS:	216-963-7
Density:	1.203 g/cm³
Melting Point:	84 °C
Boiling Point:	333.6 °C at 760 mmHg
Flash Point:	155.6 °C
Risk Codes:	22
Safety:	22-24/25
PSA:	38.69000
LogP:	1.09290

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Specification

The CAS register number of 1,3-Dioxan-5-ol,2-phenyl- is 1708-40-3. It also can be called as 1,3-Benzylideneglycerol and the IUPAC name about this chemical is 2-phenyl-1,3-dioxan-5-ol. The molecular formula about this chemical is C₁₀H₁₂O₃ and the molecular weight is 180.2. It belongs to the following product categories which include Dioxanes; Dioxanes & Dioxolanes and so on. When you are using this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties about 1,3-Dioxan-5-ol,2-phenyl- are: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): 1.68; (3)ACD/LogD (pH 7.4): 1.68; (4)ACD/BCF (pH 5.5): 11.21; (5)ACD/BCF (pH 7.4): 11.21; (6)ACD/KOC (pH 5.5): 196.35; (7)ACD/KOC (pH 7.4): 196.35; (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: 1.549; (13)Molar Refractivity: 47.69 cm³; (14)Molar Volume: 149.7 cm³; (15)Polarizability: 18.9x10^-24cm³; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.203 g/cm³; (18)Flash Point: 155.6 °C; (19)Enthalpy of Vaporization: 60.85 kJ/mol; (20)Boiling Point: 333.6 °C at 760 mmHg; (21)Vapour Pressure: 5.35E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by benzaldehyde and propane-1,2,3-triol. This reaction will need reagent of H₂SO₄.

Uses of 1,3-Dioxan-5-ol,2-phenyl-: it can be used to produce 2-benzyloxy-propane-1,3-diol with chloromethyl-benzene. This reaction will need reagent of 50percent KOH. The reaction time is 3 hours with reaction temperature of 75 °C. The yield is about 65%.

You can still convert the following datas into molecular structure:
(1)SMILES: O1CC(O)COC1c2ccccc2
(2)InChI: InChI=1/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
(3)InChIKey: BWKDAAFSXYPQOS-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
(5)Std. InChIKey: BWKDAAFSXYPQOS-UHFFFAOYSA-N