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93-56-1

Basic Information
CAS No.: 93-56-1
Name: 1-Phenyl-1,2-ethanediol
Article Data: 546
Molecular Structure:
Molecular Structure of 93-56-1 (1-Phenyl-1,2-ethanediol)
Formula: C8H10O2
Molecular Weight: 138.166
Synonyms: Styrene glycol;Phenyl glycol;Phenyl-1,2-ethanediol;Phenylethanediol;Phenylethylene glycol;1,2-Dihydroxy-1-phenylethane;1,2-Dihydroxyethylbenzene;1,2-Ethanediol, phenyl-;1-Fenyl-1,2-ethandiol;1-Phenylethylene glycol;
EINECS: 202-258-1
Density: 1.17 g/cm3
Melting Point: 61-67 °C
Boiling Point: 273.5 °C at 760 mmHg
Flash Point: 145.7 °C
Solubility: almost transparency
Appearance: White to light beige crystalline powder or flakes
Safety: 22-24/25
PSA: 40.46000
LogP: 0.71230
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Chemistry

IUPAC Name:1-Phenylethane-1,2-diol
Synonyms of Styrene glycol (CAS NO.93-56-1): 1,2-Dihydroxy-1-phenylethane ; 1,2-Dihydroxyethylbenzene ; 1,2-Ethanediol, phenyl- ; 1-Fenyl-1,2-ethandiol ; 1-Fenyl-1,2-ethandiol ; 1-Phenylethylene glycol ; Fenylglycol ; Phenyl glycol ; Phenyl-1,2-ethanediol ; Phenylethanediol ; Phenylethylene glycol ; Styrene glycol ; Styrolyl alcohol ; alpha,beta-Dihydroxyethylbenzene
Molecular Structure : 
Molecular Formula:  C8H10O2
Molecular Weight : 138.16
CAS NO:  93-56-1
EINECS:  202-258-1
Merck: 14,8861
BRN: 1306723
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 18.46 Å2
Index of Refraction: 1.572
Molar Refractivity: 38.87 cm3
Molar Volume: 118 cm3
Surface Tension: 51.4 dyne/cm
Density: 1.17 g/cm3
Flash Point: 145.7 °C
Enthalpy of Vaporization: 54.07 kJ/mol
Boiling Point: 273.5 °C at 760 mmHg
Vapour Pressure: 0.00278 mmHg at 25°C
Melting point:  61-67 ºC
Appearance: White to light beige crystalline powder or flakes
Solution: Styrene glycol (CAS NO.93-56-1) is soluble in water, alcohol, ether and benzene, slightly soluble in petroleum ether, but soluble in hot petroleum ether.
SMILES: OC(c1ccccc1)CO
InChI: InChI=1/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKey: PWMWNFMRSKOCEY-UHFFFAOYAB
Std. InChI: InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
Std. InChIKey: PWMWNFMRSKOCEY-UHFFFAOYSA-N

Uses

 Styrene glycol (CAS NO.93-56-1) is used for organic synthesis.

Production

Production methods: by the reaction of styrene and bromine, bromo-1,2 - 2-Bromo-ethane is derived, which produces phenyl-ethylene glycol  by hydrolysiscan , add styrene into petroleum ether, Then add the bromine dropwise when it is cooling controlled at the temperature below 15 ℃,  stirring 1h after  the adding is over, filter out the 1,2 - 2-Bromo-ethane white crystal, which it is refluxed 20h with water, potassium carbonate Li . Cooling, sub-tilting the upper oil-water layer, add  potassium carbonate into water layer, saturated ,oil layer by precipitation. Separate the oil layer. Water layer is extracted with benzene. Extract combined with the oil layer,  recover benzene after drying, and then vacuum distillate out of Styrene glycol .

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 2gm/kg (2000mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 215, 1986.

Safety Profile

Safety Statements:  22-24/25
24/25:  Avoid contact with skin and eyes
22:  Do not breathe dust
WGK Germany : 3
RTECS : KI2500000
HS Code : 29062900

Specification

1.General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
2.Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
3.Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
4.Storage: Store Styrene glycol (CAS NO.93-56-1) in a cool, dry place. Store in a tightly closed container.