3-Phenoxy-1,2-propanediol

Base Information

• Chemical Name: 3-Phenoxy-1,2-propanediol
• CAS No.: 538-43-2
• Molecular Formula: C9H12 O3
• Molecular Weight: 168.192
• Hs Code.: 29094990
• European Community (EC) Number: 208-692-8
• NSC Number: 406489
• UNII: 38D39W41IJ
• DSSTox Substance ID: DTXSID90870597
• Nikkaji Number: J6.372J
• Wikidata: Q21547178
• Mol file: 538-43-2.mol

Synonyms:3-phenoxy-1,2-propanediol

Chemical Property of 3-Phenoxy-1,2-propanediol

Chemical Property:

• Appearance/Colour: great
• Vapor Pressure: 0.00019mmHg at 25°C
• Melting Point: 54-57 ºC
• Refractive Index: 1.55
• Boiling Point: 315 ºC
• PKA: 13.61±0.20(Predicted)
• Flash Point: 156.4°C
• PSA: 49.69000
• Density: 1.185g/cm³
• LogP: 0.41860
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly), Water (Very Slightl
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 110

Purity/Quality:

99.0%Min ^*data from raw suppliers

3-Phenoxy-1,2-propanediol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: C1=CC=C(C=C1)OCC(CO)O

Technology Process of 3-Phenoxy-1,2-propanediol

There total 89 articles about 3-Phenoxy-1,2-propanediol 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: 100.0%

Phenyl glycidyl ether (122-60-1,71031-02-2) → 3-phenoxy-1,2-propanediol (538-43-2)

Guidance literature:

With water; erbium(III) triflate; In acetonitrile; at 25 ℃; for 1h;

DOI:10.1055/s-0029-1216956

Reference yield: 99.0%

allyl phenyl ether (1746-13-0) → 3-phenoxy-1,2-propanediol (538-43-2)

Guidance literature:

With 4-methylmorpholine N-oxide; In water; acetone; at 20 ℃; for 3.5h; Reagent/catalyst; Inert atmosphere;

DOI:10.1055/s-0034-1379990

Reference yield: 98.0%

2,2-dimethyl-4-phenoxymethyl-[1,3]dioxolane (53379-98-9) → 3-phenoxy-1,2-propanediol (538-43-2)

Guidance literature:

With hydrogenchloride; In water; acetone; at 70 ℃; for 1h;

DOI:10.3390/molecules22020217

upstream raw materials:

allyl phenyl ether

3-monochloro-1,2-propanediol

phenol

benzenediazonium

Downstream raw materials:

2-phenoxyethanal

(RS)-3-phenoxy-1-(4-toluenesulfonyloxy)-2-propanol

1-hydroxy-3-phenoxy-2-propanone

(S)-3-phenoxy-1,2-propanediol

Refernces

• 1、 Solís-Mu?ana, Pablo,Salam, Joanne,Ren, Chloe Z.-J.,Carr, Bronte,Whitten, Andrew E.,Warr, Gregory G.,Chen, Jack L.-Y.. "An Amphiphilic (salen)Co Complex – Utilizing Hydrophobic Interactions to Enhance the Efficiency of a Cooperative Catalyst". supporting information. p. 3207 - 3213. Retrieved 2021/06/01.
• 2、 Mirza-Aghayan, Maryam,Mohammadi, Marzieh,Ahmadi, Zahra,Boukherroub, Rabah. "Ultrasound Assisted the Synthesis of 1,3-Dioxolane Derivatives from the Reaction of Epoxides or 1,2-Diols with Various Ketones Using Graphene Oxide Catalyst". . p. 2959 - 2969. Retrieved 2020/04/22.