4-(1-Hydroxyethyl)phenol

Base Information

• Chemical Name: 4-(1-Hydroxyethyl)phenol
• CAS No.: 2380-91-8
• Deprecated CAS: 93453-79-3
• Molecular Formula: C₈H₁₀O₂
• Molecular Weight: 138.166
• Hs Code.: 2907299090
• European Community (EC) Number: 219-176-7
• DSSTox Substance ID: DTXSID30862911
• Nikkaji Number: J213.243E
• Wikidata: Q27114094
• Metabolomics Workbench ID: 54327
• ChEMBL ID: CHEMBL507057
• Mol file: 2380-91-8.mol

Synonyms:4-(1-hydroxyethyl)phenol;2380-91-8;1-(p-Hydroxyphenyl) ethanol;4-Hydroxyphenyl methyl carbinol;4-Hydroxy-alpha-methylbenzyl alcohol;1-(4-Hydroxyphenyl)ethanol;1-(4'-Hydroxyphenyl)ethanol;Benzenemethanol, 4-hydroxy-.alpha.-methyl-;4-Hydroxy-alpha-methyl-benzenemethanol;1-(P-hydroxyphenyl)ethanol;CHEBI:31042;EINECS 219-176-7;Benzenemethanol, 4-hydroxy-alpha-methyl-;166164-76-7;4-hydroxyphenyl ethanol;bmse010001;SCHEMBL101582;p-hydroxyphenyl methyl carbinol;CHEMBL507057;4-Hydroxy-a-methylbenzenemethanol;DTXSID30862911;(C8-H10-O2)x-;MFCD00016858;AKOS000249587;CS-W006209;FT-0692512;H1694;EN300-74400;A816917;W-107373;Q27114094

Chemical Property of 4-(1-Hydroxyethyl)phenol

Chemical Property:

• Vapor Pressure: 0.00333mmHg at 25°C
• Melting Point: 132-133 °C
• Refractive Index: 1.573
• Boiling Point: 270.6 °C at 760 mmHg
• PKA: 10.01±0.26(Predicted)
• Flash Point: 132.4 °C
• PSA: 40.46000
• Density: 1.161 g/cm³
• LogP: 1.44550
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 95.4

Purity/Quality:

98.0%Min ^*data from raw suppliers

4-(1-Hydroxyethyl)phenol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(1-Hydroxyethyl)phenol

There total 64 articles about 4-(1-Hydroxyethyl)phenol 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%

4-Hydroxyacetophenone (99-93-4) → 1-(4-hydroxyphenyl)ethanol (93453-79-3,166164-76-7,2380-91-8)

Guidance literature:

4-Hydroxyacetophenone; With sodium tetrahydroborate; at 60 ℃; for 1h; Ball milling; neat (no solvent);

With water; regiospecific reaction;

DOI:10.1002/ejoc.200900352

Reference yield: 96.0%

4-Hydroxyacetophenone (99-93-4) → (S)-(-)-1-(4'-hydroxyphenyl)ethanol (93781-59-0,166164-76-7,2380-91-8)

Guidance literature:

With formic acid; C₂₈H₃₆N₃O₂RuS; triethylamine; at 60 ℃; for 10h; enantioselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201500288

Reference yield: 79.0%

1-(4-methoxyphenyl)ethanone (100-06-1) → rac-1-(4-methoxyphenyl)-ethanol (3319-15-1) + 1-(4-hydroxyphenyl)ethanol (93453-79-3,166164-76-7,2380-91-8)

Guidance literature:

With sodium; In 1-methyl-pyrrolidin-2-one; for 0.5h; Heating;

DOI:10.1021/jo010611p

upstream raw materials:

4-Hydroxyacetophenone

methyl magnesium iodide

4-hydroxy-benzaldehyde

ethanol

Downstream raw materials:

(S)-(-)-1-(4'-hydroxyphenyl)ethanol

(R)-(-)-1-(4'-hydroxyphenyl)ethanol

4'-hydroxyvalerophenone

4-hydroxy-benzaldehyde

Refernces

• 1、 Wang, Rongzhou,Yue, Yuancheng,Qi, Jipeng,Liu, Shiyuan,Song, Ao,Zhuo, Shuping,Xing, Ling-Bao. "Ambient-pressure highly active hydrogenation of ketones and aldehydes catalyzed by a metal-ligand bifunctional iridium catalyst under base-free conditions in water". . p. 1 - 7. Retrieved 2021/05/17.
• 2、 Newar, Rajashree,Akhtar, Naved,Antil, Neha,Kumar, Ajay,Shukla, Sakshi,Begum, Wahida,Manna, Kuntal. "Amino Acid-Functionalized Metal-Organic Frameworks for Asymmetric Base–Metal Catalysis". . p. 10964 - 10970. Retrieved 2021/03/29.