CAS No.17325-85-8,(S)-(-)-3-BENZYLOXY-1,2-PROPANEDIOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	17325-85-8
Name:	(S)-(-)-3-BENZYLOXY-1,2-PROPANEDIOL
Article Data:	176

Formula:	C₁₀H₁₄O₃
Molecular Weight:	182.219
Synonyms:	1,2-Propanediol,3-(benzyloxy)-, D- (8CI);1,2-Propanediol, 3-(phenylmethoxy)-, (S)-;(-)-3-Benzyloxy-1,2-propanediol;(2S)-3-Benzyloxypropane-1,2-diol;(S)-1-O-benzylglycerol;(S)-3-(Benzyloxy)-1,2-propanediol;1-O-benzyl-sn-glycerol;D-1-Benzylglycerol;
Density:	1.16 g/cm³
Melting Point:	24-26 °C(lit.)
Boiling Point:	355.1 °C at 760 mmHg
Flash Point:	168.6 °C
Appearance:	White to slightly yellow crystalline low meltingsolid
Safety:	22-24/25
PSA:	49.69000
LogP:	0.55640

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Specification

The (S)-(-)-3-Benzyloxy-1,2-propanediol with CAS registry number of 17325-85-8 is also known as (S)-1-O-benzylglycerol. The IUPAC name is (2S)-3-Phenylmethoxypropane-1,2-diol. It belongs to product categories of Heterocyclic Compounds; Chiral Building Blocks; Simple Alcohols (Chiral); Synthetic Organic Chemistry. In addition, the formula is C₁₀H₁₄O₃ and the molecular weight is 182.22. This chemcial is a white to slightly yellow crystalline low meltingsolid. During using it, avoid contact with skin and eyes and do not breathe dust.

Physical properties about (S)-(-)-3-Benzyloxy-1,2-propanediol are: (1)ACD/LogP: 0.88 ; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 27.69Å²; (6)Index of Refraction: 1.547; (7)Molar Refractivity: 49.84 cm³; (8)Molar Volume: 157 cm³; (9)Polarizability: 19.75×10^-24cm³; (10)Surface Tension: 48.3 dyne/cm; (11)Density: 1.16 g/cm³; (12)Flash Point: 168.6 °C; (13)Enthalpy of Vaporization: 63.33 kJ/mol; (14)Boiling Point: 355.1 °C at 760 mmHg; (15)Vapour Pressure: 1.17E-05 mmHg at 25 °C.

Preparation of (S)-(-)-3-Benzyloxy-1,2-propanediol: it is prepared by reaction of (2-phenyl-[1,3]dioxolan-4-yl)-methanol. The reaction needs reagent DIBALH and solvents CH₂Cl₂, diethyl ether at the temperature of 20 °C for 4 hours. The yield is about 80%.

(S)-(-)-3-Benzyloxy-1,2-propanediol is prepared by reaction of (2-phenyl-[1,3]dioxolan-4-yl)-methanol.

Uses of (S)-(-)-3-Benzyloxy-1,2-propanediol: it is used to produce 3-benzyloxy-1,2-diacetoxypropane by reaction with acetic acid anhydride. The reaction occurs with reagent conc. H₂SO₄ and other condition of heating for 15 minutes. The yield is about 72%.

(S)-(-)-3-Benzyloxy-1,2-propanediol is used to produce 3-benzyloxy-1,2-diacetoxypropane by reaction with acetic acid anhydride.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)COCC(CO)O
2. Isomeric SMILES: C1=CC=C(C=C1)COC[C@H](CO)O
3. InChI: InChI=1S/C10H14O3/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-/m0/s1
4. InChIKey: LWCIBYRXSHRIAP-JTQLQIEISA-N