2-Phenoxypropanol

Base Information

• Chemical Name: 2-Phenoxypropanol
• CAS No.: 4169-04-4
• Deprecated CAS: 157967-88-9,38600-05-4
• Molecular Formula: C9H12 O2
• Molecular Weight: 152.193
• Hs Code.: 2909499000
• European Community (EC) Number: 224-027-4
• UNII: 716K0675WC
• DSSTox Substance ID: DTXSID7029665
• Nikkaji Number: J38.244B
• ChEMBL ID: CHEMBL3186734
• Mol file: 4169-04-4.mol

Synonyms:2-phenoxy-1-propanol

Chemical Property of 2-Phenoxypropanol

Chemical Property:

• Vapor Pressure: 0.0167mmHg at 25°C
• Refractive Index: 1.5240 to 1.5270
• Boiling Point: 244°Cat760mmHg
• PKA: 14.24±0.10(Predicted)
• Flash Point: 104.4°C
• PSA: 29.46000
• Density: 1.054g/cm³
• LogP: 1.44620
• XLogP3: 1.6
• 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:

98%,99%, ^*data from raw suppliers

2-Phenoxypropanol >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)OC1=CC=CC=C1
• Uses: 2-Phenoxylpropanol can be used in post chemical mechanical polishing cleaners. This compound has also shown to have an improved quantum yield as a semi-conductor light emitting nanoparticle.

Technology Process of 2-Phenoxypropanol

There total 25 articles about 2-Phenoxypropanol 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%

t-butyl 2-phenoxypropanothioate (29279-27-4) → 2-phenoxy-1-propanol (4169-04-4)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 24h; Ambient temperature;

Reference yield: 98.0%

ethyl 2-phenoxypropionate (42412-84-0) → 2-phenoxy-1-propanol (4169-04-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Ambient temperature;

DOI:10.1002/hlca.19940770210

Reference yield: 95.0%

2-phenoxypropionic acid (940-31-8) → 2-phenoxy-1-propanol (4169-04-4)

Guidance literature:

With sodium tetrahydroborate; titanium tetrachloride; In 1,2-dimethoxyethane; for 14h; Ambient temperature;

DOI:10.1055/s-1980-29174

upstream raw materials:

2-phenoxypropionic acid

methyl 2-phenoxypropanoate

propylene glycol

triphenylbismuth(V) diacetate

Downstream raw materials:

(S)-2-Methyl-2-phenoxy carbinolcid

(R)-2-phenoxypropan-1-ol

(S)-2-phenoxy-1-propyl acetate

2-(2,4-dichlorophenoxy)propionic acid

Refernces

• 1、 Saito, Susumu,Wen, Ke,Yoshioka, Shota. "Development of effective bidentate diphosphine ligands of ruthenium catalysts toward practical hydrogenation of carboxylic acids". . p. 1510 - 1524. Retrieved 2021/06/18.
• 2、 Rasu, Loorthuraja,John, Jeremy M.,Stephenson, Elanna,Endean, Riley,Kalapugama, Suneth,Clément, Roxanne,Bergens, Steven H.. "Highly Enantioselective Hydrogenation of Amides via Dynamic Kinetic Resolution Under Low Pressure and Room Temperature". supporting information. p. 3065 - 3071. Retrieved 2017/03/11.