1-Phenylglycerol

Base Information

• Chemical Name: 1-Phenylglycerol
• CAS No.: 63157-81-3
• Molecular Formula: C9H12 O3
• Molecular Weight: 168.192
• Hs Code.: 2906299090
• European Community (EC) Number: 240-414-0,263-975-3
• DSSTox Substance ID: DTXSID20936837
• Nikkaji Number: J327.007F
• ChEMBL ID: CHEMBL1836134
• Mol file: 63157-81-3.mol

Synonyms:1-Phenylglycerol;1-phenylpropane-1,2,3-triol;63157-81-3;[S(R*,R*)]-1-phenylglycerol;16354-95-3;(S(R*,R*))-1-Phenylglycerol;EINECS 240-414-0;EINECS 263-975-3;phenylglycerin;SCHEMBL117950;CHEMBL1836134;DTXSID20936837

Chemical Property of 1-Phenylglycerol

Chemical Property:

• Melting Point: 100.5°C
• Refractive Index: 1.5606 (estimate)
• Boiling Point: 185°C (estimate)
• PSA: 60.69000
• Density: 1.2213
• LogP: 0.07320
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C(CO)O)O

Technology Process of 1-Phenylglycerol

There total 42 articles about 1-Phenylglycerol 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: 99.0%

2,3-epoxy-3-phenyl-1-propanol (21915-53-7,40641-81-4,91465-28-0,98819-67-1,98819-68-2,99528-63-9,104196-23-8,105663-44-3,116661-35-9) → 1-phenyl-propane-1,2,3-triol (63157-81-3)

Guidance literature:

With water; at 60 ℃; for 2h;

DOI:10.1021/jo702401t

Reference yield: 82.0%

3-Phenylpropenol (104-54-1) → 1-phenyl-propane-1,2,3-triol (63157-81-3)

Guidance literature:

With tert.-butylhydroperoxide; In water; at 60 ℃; for 12h;

DOI:10.1007/s10562-010-0410-4

Reference yield: 78.0%

(2E)-3-phenyl-2-propen-1-ol (4407-36-7) → 1-phenyl-propane-1,2,3-triol (63157-81-3)

Guidance literature:

With osmium(VIII) oxide; 4-methylmorpholine N-oxide; In water; tert-butyl alcohol; at 20 ℃; for 19h; Inert atmosphere;

DOI:10.1055/s-0033-1338519

upstream raw materials:

2,3-dibromo-3-phenylpropan-1-ol

1-phenyl-1,2,3-propanetriol triacetate

3-Phenylpropenol

water

Downstream raw materials:

1-phenyl-1,2,3-propanetriol triacetate

2-Hydroxy-4-phenyl-2-oxo-1,3,2-dioxaphosphorinan

benzoic acid

N-(2-hydroxyethyl)-N-methylaminobenzene