4-Ethylbenzyl alcohol

Base Information

• Chemical Name: 4-Ethylbenzyl alcohol
• CAS No.: 768-59-2
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 29062990
• European Community (EC) Number: 212-198-8
• DSSTox Substance ID: DTXSID00227614
• Nikkaji Number: J139.758C
• Wikidata: Q72472898
• Mol file: 768-59-2.mol

Synonyms:4-ETHYLBENZYL ALCOHOL;(4-Ethylphenyl)methanol;768-59-2;4-Ethylbenzylalcohol;Benzenemethanol, 4-ethyl-;Benzyl alcohol, p-ethyl-;p-Ethylbenzyl alcohol;4-Ethylbenzenemethanol;EINECS 212-198-8;AI3-21535;Benzenemethanol,4-ethyl-;(4-Ethylphenyl)methanol #;SCHEMBL92935;4-Ethylbenzyl alcohol, 99%;DTXSID00227614;MFCD00004666;AKOS000249533;AS-57900;CS-0186074;E0704;FT-0690437;D71245;EN300-137199;A865399

Chemical Property of 4-Ethylbenzyl alcohol

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.0189mmHg at 25°C
• Melting Point: 85-86.5℃
• Refractive Index: n20/D 1.527(lit.)
• Boiling Point: 241.8 °C at 760 mmHg
• PKA: 14.48±0.10(Predicted)
• Flash Point: 104.4 °C
• PSA: 20.23000
• Density: 1 g/cm³
• LogP: 1.74130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 82.7

Purity/Quality:

98% ^*data from raw suppliers

4-Ethylbenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Statements: 36/38
• Safety Statements: 24/25-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)CO
• Uses: 4-Ethylbenzyl alcohol may be used in chemical synthesis studies.

Technology Process of 4-Ethylbenzyl alcohol

There total 27 articles about 4-Ethylbenzyl 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: 99.0%

4-ethylbenzylaldehyde (4748-78-1) → 4-ethylbenzyl alcohol (768-59-2)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 0.25h;

DOI:10.1002/cmdc.201000484

Reference yield: 96.0%

4-ethylbenzylchloride (1467-05-6) → 4-ethylbenzyl alcohol (768-59-2)

Guidance literature:

With iron(III) sulfate; water; In toluene; at 110 ℃; for 0.7h; Ionic liquid;

DOI:10.1039/c0nj00454e

Reference yield: 92.0%

p-ethylbenzoic acid (619-64-7) → 4-ethylbenzyl alcohol (768-59-2)

Guidance literature:

With lithium aluminium tetrahydride;

upstream raw materials:

p-ethylbenzoic acid

4-ethylbenzylchloride

4-ethylbenzylaldehyde

4-methylethylbenzene

Downstream raw materials:

decanoic acid-(4-ethyl-benzyl ester)

2-(4-Ethyl-benzylsulfanyl)-ethylamine

1-<(4-ethylbenzyl)oxy>-3-isopropyl-6-methylhepta-2,5-diene

(4-Ethyl-2-iodo-phenyl)-methanol

Refernces

• 1、 Subaramanian, Murugan,Sivakumar, Ganesan,Babu, Jessin K.,Balaraman, Ekambaram. "Selective hydrogenation of primary amides and cyclic di-peptides under Ru-catalysis". supporting information. p. 12411 - 12414. Retrieved 2020/10/30.
• 2、 Mujahed, Shrouq,Valentini, Federica,Cohen, Shirel,Vaccaro, Luigi,Gelman, Dmitri. "Polymer-Anchored Bifunctional Pincer Catalysts for Chemoselective Transfer Hydrogenation and Related Reactions". . p. 4693 - 4699. Retrieved 2019/10/28.