3-Hydroxyphenethyl alcohol

Base Information

• Chemical Name: 3-Hydroxyphenethyl alcohol
• CAS No.: 13398-94-2
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• Hs Code.: 2907299090
• European Community (EC) Number: 236-485-2
• NSC Number: 101846
• UNII: 2D3F6MU88Z
• DSSTox Substance ID: DTXSID40158438
• Nikkaji Number: J119.464J
• Wikidata: Q27254583
• ChEMBL ID: CHEMBL54498
• Mol file: 13398-94-2.mol

Synonyms:3-(2-Hydroxyethyl)phenol;13398-94-2;3-Hydroxyphenethyl alcohol;2-(3-Hydroxyphenyl)ethanol;Benzeneethanol, 3-hydroxy-;Phenethyl alcohol, m-hydroxy-;3-Hydroxyphenethylalcohol;m-Hydroxyphenethyl alcohol;m-Phenethyl alcohol;UNII-2D3F6MU88Z;3-(2-Hydroxy-ethyl)-phenol;2D3F6MU88Z;EINECS 236-485-2;MFCD00002895;NSC-101846;3-Hydroxybenzeneethanol;m-tyrosol;2-(3-hydroxyphenyl)-ethanol;3-Hydroxyphenylmethyl carbinol;CHEMBL54498;SCHEMBL351675;DTXSID40158438;2-(3-Hydroxyphenyl)ethanol, 99%;AMY41470;BCP30364;NSC101846;AKOS009156879;NSC 101846;DS-16080;SY011808;CS-0171132;FT-0691883;EN300-103529;J-006463;Q27254583

Chemical Property of 3-Hydroxyphenethyl alcohol

Chemical Property:

• Vapor Pressure: 5.61E-05mmHg at 25°C
• Refractive Index: n20/D 1.564(lit.)
• Boiling Point: 332.9 °C at 760 mmHg
• PKA: 9.89±0.10(Predicted)
• Flash Point: 144.5 °C
• PSA: 40.46000
• Density: 1.168 g/cm³
• LogP: 0.92700
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 93.3

Purity/Quality:

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

3-(2-Hydroxyethyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)O)CCO

Technology Process of 3-Hydroxyphenethyl alcohol

There total 10 articles about 3-Hydroxyphenethyl alcohol 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%

C24H26O4 → 2-(3-hydroxyphenyl)ethanol (13398-94-2)

Guidance literature:

With methanol; iodine; at 50 ℃; for 48h;

DOI:10.1016/j.tetlet.2004.02.039

Reference yield: 100.0%

m-hydroxyphenylacetic acid (621-37-4) → 2-(3-hydroxyphenyl)ethanol (13398-94-2)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 ℃; for 1h;

Reference yield: 98.0%

3-hydroxy-benzeneacetic acid, methyl ester (42058-59-3) → 2-(3-hydroxyphenyl)ethanol (13398-94-2)

Guidance literature:

With sodium tetrahydroborate; In water; for 2h;

DOI:10.1002/ejoc.200300182

upstream raw materials:

2-(3-methoxyphenyl)-ethanol

m-hydroxyphenylacetic acid

3-hydroxy-benzeneacetic acid, methyl ester

3-hydroxystyrene

Downstream raw materials:

tert-Butyl-[2-(3-methoxymethoxy-phenyl)-ethoxy]-dimethyl-silane

methyl 3-(2-hydroxyethyl)phenoxyacetate

acetic acid 2-(3-hydroxyphenyl)ethyl ester

2-(3-allyloxyphenyl)ethanol

Refernces

• 1、 -. "BIFUNCTIONAL COMPOUNDS". Page/Page column 51; 85. . Retrieved 2021/05/07.
• 2、 Ben Hmida, Rania,Frikha, Nourzed,Bouguerra Neji, Soumaya,Kit, Geoffrey,Medina, Francisco,Bouaziz, Mohamed. "Synthesis of high added value compounds through catalytic oxidation of 2-phenylethanol: A Kinetic study". . p. 124 - 133. Retrieved 2019/12/03.