5112-21-0

Basic information

• Product Name: 3-(2-Chlorophenoxy)-1,2-propanediol
• Synonyms: 3-(2-Chlorophenoxy)-1,2-propanediol
• CAS NO: 5112-21-0
• Molecular Formula: C₉H₁₁ClO₃
• Molecular Weight: 202.63
• Mol File: 5112-21-0.mol
• Article Data: 2

Chemical Properties

• Melting Point: 71.5°C
• Boiling Point: 290.96°C (rough estimate)
• Flash Point: 175.5°C
• Appearance: /
• Density: 1.2411 (rough estimate)
• Vapor Pressure: 5.12E-06mmHg at 25°C
• Refractive Index: 1.5470 (estimate)
• CAS DataBase Reference: 3-(2-Chlorophenoxy)-1,2-propanediol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-Chlorophenoxy)-1,2-propanediol(5112-21-0)
• EPA Substance Registry System: 3-(2-Chlorophenoxy)-1,2-propanediol(5112-21-0)

Safety Data

• Hazardous Substances Data: 5112-21-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H11ClO3/c10-8-3-1-2-4-9(8)13-6-7(12)5-11/h1-4,7,11-12H,5-6H2

Upstream product

• 95-57-8 2-monochlorophenol 
• 96-24-2 3-monochloro-1,2-propanediol 
• 556-52-5 oxiranyl-methanol 

Downstream Products

• 65298-23-9 (2-chloro-phenoxy)-acetaldehyde 
• 2049-26-5 1-carbamoyloxy-3-(2-chloro-phenoxy)-propan-2-ol 
• 2049-29-8 5-(2-chloro-phenoxymethyl)-oxazolidin-2-one 
• 2412-74-0 1-Phenyl-3-<2-chlor-phenyl-oxymethyl>-bor-dioxa-cyclopentan 
• 147220-29-9 1-acetoxy-3-(2-chlorophenoxy)propan-2-ol 
• 147220-39-1 Acetic acid (R)-1-acetoxymethyl-2-(2-chloro-phenoxy)-ethyl ester 
• 147220-39-1 Acetic acid (S)-1-acetoxymethyl-2-(2-chloro-phenoxy)-ethyl ester 
• 153547-60-5 (R)-3-(2-chlorophenoxy)propane-1,2-diol 
• 204584-21-4 1-acetoxy-3-(2-chlorophenoxy)propan-2-one 

Relevant articles and documents

Crystallization of chiral compounds 3. 3-Phenoxypropane-1,2-diol and 3-(2-halophenoxy)propane-1,2-diols

Specific features of melting of crystalline samples of 3-(2-R-phenoxy) propane-1,2-diols with different enantiomeric compositions were studied by differential scanning calorimetry. The melting points and enthalpies of melting for the racemate and individual stereoisomers were determined. Binary phase diagrams were constructed. The entropy of mixing of individual enantiomers in the liquid phase and the free energy of formation of the racemic compound were calculated. The thermochemical data indicate that the racemates are formed upon the crystallization of phenoxy-and 2-fluorophenoxy-containing compounds, while crystallization of the chloro-, bromo-, and iodo-substituted analogs would form racemic conglomerates.