3-Phenoxypropionic acid Chemical Properties

Melting point:

98-100 °C (lit.)

Boiling point:

235-245 °C (lit.)

Density 

1.1708 (rough estimate)

refractive index 

1.5184 (estimate)

Flash point:

243-245°C

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

pka

4.12±0.10(Predicted)

color 

White to Almost white

BRN 

1638040

InChI

InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

InChIKey

BUSOTUQRURCMCM-UHFFFAOYSA-N

SMILES

C(O)(=O)CCOC1=CC=CC=C1

CAS DataBase Reference

7170-38-9(CAS DataBase Reference)

NIST Chemistry Reference

3-Phenoxypropionic acid(7170-38-9)

Safety Information

Hazard Codes 

C

Risk Statements 

34

Safety Statements 

24/25-45-36/37/39-27-26

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29189990

Storage Class

11 - Combustible Solids

MSDS

• Language:English Provider:3-Phenoxypropionic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

3-Phenoxypropionic acid Usage And Synthesis

Uses

3-Phenoxypropionic acid is a carboxylic acid derivative that can be used as an intermediate in pharmaceutical and chemical synthesis.

Chemical Properties

WHITE TO BEIGE FLUFFY POWDER

Definition

ChEBI: 3-Phenoxypropionic acid is an aromatic ether and a carboxylic acid.

Synthesis

Phenol and ethyl acrylate were introduced into a 5-liter three-necked glass flask fitted with a heat element and overhead stirrer. Triton B was added and heated at reflux (120??C) for 48 h. TLC showed that a small amount of phenol was still present. The reaction compositions were treated as follows. Ethyl acrylate was removed and the residue was dissolved in ethyl acetate, washed with aqueous NaOH (10%), then with water (3.0 liters) and dried over anhydrous sodium sulfate. The dried organic layer was concentrated to give a residue. The residue was placed in a 10.0 liter round bottom glass flask, concentrated HCl was added and heated under reflux for 24 hours. The TLC was checked and the reaction composition was cooled to 25??C. The solid was filtered out and washed thoroughly with water (5 liters). The product was dried under vacuum in an oven at 30??C overnight. Yield: 450 g (27% of theoretical value) Purity (HPLC): 98.32%.

3-Phenoxypropionic acid(7170-38-9)Related Product Information

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