1-Phenyl-1,2-ethanediol

Base Information

• Chemical Name: 1-Phenyl-1,2-ethanediol
• CAS No.: 93-56-1
• Deprecated CAS: 170678-55-4,7138-28-5,7138-28-5
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• Hs Code.: 29062900
• European Community (EC) Number: 202-258-1
• NSC Number: 406601
• UNII: 2ZAC511UK8
• DSSTox Substance ID: DTXSID8042422
• Nikkaji Number: J802H
• Wikidata: Q26841299
• ChEMBL ID: CHEMBL3188703
• Mol file: 93-56-1.mol

Synonyms:1-phenyl-1,2-ethanediol;phenyl glycol;phenylethanediol;phenylethylene glycol;styrene glycol;styrene glycol, (R)-isomer;styrene glycol, (S)-isomer

Chemical Property of 1-Phenyl-1,2-ethanediol

Chemical Property:

• Appearance/Colour: White to light beige crystalline powder or flakes
• Melting Point: 61-67 °C
• Refractive Index: 1.5340 (estimate)
• Boiling Point: 273.5 °C at 760 mmHg
• PKA: 13.61±0.20(Predicted)
• Flash Point: 145.7 °C
• PSA: 40.46000
• Density: 1.17 g/cm³
• LogP: 0.71230
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform (Slightly), Ethanol, Methanol (Slightly)
• Water Solubility.: almost transparency
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

99% ^*data from raw suppliers

racStyreneGlycol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C1=CC=C(C=C1)C(CO)O
• Uses: 1-Phenyl-1,2-ethanediol is used as a metabolite of Styrene (S687790) in mammals. Esters as plasticizers.

Technology Process of 1-Phenyl-1,2-ethanediol

There total 291 articles about 1-Phenyl-1,2-ethanediol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → styrene oxide (96-09-3) + phenylethane 1,2-diol (93-56-1) + benzaldehyde (100-52-7) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With methyl 3-pyridinecarboxylate; dihydrogen peroxide; methyltrioxorhenium(VII); In dichloromethane; at 24 ℃; for 17h; Further Variations:; Reagents; Product distribution;

DOI:10.1021/jo005623+

Reference yield: 86.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → phenylethane 1,2-diol (93-56-1) + benzaldehyde (100-52-7) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With poly{CuCa(pyridine-2,5-dicarboxylate)₂}; dihydrogen peroxide; In acetonitrile; at 60 ℃; for 12h; Reagent/catalyst; Catalytic behavior;

DOI:10.1021/acs.inorgchem.6b00292

Reference yield: 83.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → phenylethane 1,2-diol (93-56-1) + benzaldehyde (100-52-7)

Guidance literature:

With water; oxygen; palladium diacetate; sodium carbonate; at 100 ℃; for 24h; Autoclave;

DOI:10.1021/jo100125q

upstream raw materials:

styrene

silver benzoate

styrene oxide

2,2-dihydroxy-1-phenyl-ethanone

Downstream raw materials:

2-phenylethanol

phenylacetaldehyde

MANDELIC ACID

2-isopropyl-4-phenyl-[1,3]dioxolane

Refernces

• 1、 Rau et al.. "". . p. 3955. Retrieved 1974.
• 2、 Marquardt,Luce. "". . p. 751. Retrieved 1944.
• 3、 Natongchai, Wuttichai,Posada-Pérez, Sergio,Phungpanya, Chalida,Luque-Urrutia, Jesús Antonio,Solà, Miquel,D'Elia, Valerio,Poater, Albert. "Enhancing the Catalytic Performance of Group I, II Metal Halides in the Cycloaddition of CO2to Epoxides under Atmospheric Conditions by Cooperation with Homogeneous and Heterogeneous Highly Nucleophilic Aminopyridines: Experimental and Theoretical Study". . p. 2873 - 2886. Retrieved 2022/02/10.
• 4、 Doroshchuk, Roman O.,Gumienna-Kontecka, Elzbieta,Khomenko, Dmytro M.,Lampeka, Rostyslav D.,Martins, Luísa M. D. R. S.,Novitchi, Ghénadie,Petrenko, Yuliia P.,Piasta, Karolina,Shova, Sergiu,Toporivska, Yuliya. "An investigation of two copper(ii) complexes with a triazole derivative as a ligand: magnetic and catalytic properties". . p. 23442 - 23449. Retrieved 2021/07/13.