1-Phenoxy-2-propanol

Base Information

• Chemical Name: 1-Phenoxy-2-propanol
• CAS No.: 770-35-4
• Deprecated CAS: 130890-76-5,207275-03-4,207275-03-4
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 29094990
• European Community (EC) Number: 212-222-7
• NSC Number: 24015
• UNII: 87CZY0NY1A
• DSSTox Substance ID: DTXSID9027312
• Nikkaji Number: J47.817B
• Wikidata: Q20054546
• RXCUI: 1313723
• ChEMBL ID: CHEMBL1327532
• Mol file: 770-35-4.mol

Synonyms:propylene phenoxetol

Chemical Property of 1-Phenoxy-2-propanol

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.02mmHg at 25°C
• Melting Point: 11 °C
• Refractive Index: n20/D 1.523(lit.)
• Boiling Point: 249.303 °C at 760 mmHg
• PKA: 14.43±0.20(Predicted)
• Flash Point: 104.417 °C
• PSA: 29.46000
• Density: 1.054 g/cm³
• LogP: 1.44620
• Storage Temp.: Refrigerator
• Solubility.: water: soluble15.1g/L at 20°C
• Water Solubility.: 15.1g/L at 20℃
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

99.9% ^*data from raw suppliers

1-Phenoxy-2-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 23-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Glycol Ethers (P Series)
• Canonical SMILES: CC(COC1=CC=CC=C1)O
• Uses: High-boiling solvent, bactericidal agent, fixa- tive for soaps and perfumes, intermediate for plas- ticizers. 1-Phenoxy-2-propanol is a useful synthetic intermediate. It was used in the preparation of acylarylthiocarbamates as nonnucleoside reverse transcriptase inhibitors.

Technology Process of 1-Phenoxy-2-propanol

There total 33 articles about 1-Phenoxy-2-propanol 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: 98.0%

3-phenoxy-2-propanone (621-87-4) → 1-phenoxy-2-propanol (770-35-4,130879-97-9)

Guidance literature:

With formic acid; C₃₃H₃₃ClIrNO; sodium formate; In water; at 80 ℃; for 14h; pH=4.5; Reagent/catalyst; chemoselective reaction; Catalytic behavior; Inert atmosphere;

DOI:10.1002/chem.201403701

Reference yield: 97.5%

methyloxirane (75-56-9,16033-71-9) + phenol (108-95-2,27073-41-2) → 1-phenoxy-2-propanol (770-35-4,130879-97-9)

Guidance literature:

With Al₂O₃/MgO composite; at 120 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.apcata.2011.09.010

Reference yield: 93.0%

3-phenoxy-2-propanone (621-87-4) + isopropyl alcohol (67-63-0,8013-70-5) → 1-phenoxy-2-propanol (770-35-4,130879-97-9)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol;

upstream raw materials:

3-phenoxy-2-propanone

sodium phenoxide

1-Chloro-2-propanol

phenol

Downstream raw materials:

bromo-acetic acid-(β-phenoxy-isopropyl ester)

3-phenoxy-2-propanone

Butyric acid (R)-1-methyl-2-phenoxy-ethyl ester

propionaldehyde

Refernces

• 1、 Lambert, Tristan H.,Steiniger, Keri A.. "Primary Alcohols via Nickel Pentacarboxycyclopentadienyl Diamide Catalyzed Hydrosilylation of Terminal Epoxides". supporting information. p. 8013 - 8017. Retrieved 2021/10/25.
• 2、 -. "CATALYST FOR PREPARING PROPYLENE GLYCOL PHENYL ETHER AND METHOD FOR SYNTHESIZING PROPYLENE GLYCOL PHENYL ETHER". Paragraph 0022-0049. . Retrieved 2020/06/08.