2,4-Dimethylbenzyl alcohol

Base Information

• Chemical Name: 2,4-Dimethylbenzyl alcohol
• CAS No.: 16308-92-2
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 29062990
• European Community (EC) Number: 240-393-8
• DSSTox Substance ID: DTXSID90167510
• Nikkaji Number: J101.201K
• Mol file: 16308-92-2.mol

Synonyms:16308-92-2;2,4-DIMETHYLBENZYL ALCOHOL;(2,4-Dimethylphenyl)methanol;Benzenemethanol, 2,4-dimethyl-;(2,4-Dimethyl-phenyl)-methanol;2,4-dimethylbenzylalcohol;Benzyl alcohol, 2,4-dimethyl-;MFCD00004624;2,4-Dimethylbenzenemethanol;EINECS 240-393-8;AI3-21159;Benzenemethanol,2,4-dimethyl-;2,4 -dimethylbenzyl alcohol;SCHEMBL95787;(2,4-Dimethylphenyl)methanol #;DTXSID90167510;2,4-Dimethylbenzyl alcohol, 96%;AKOS000249316;AB92955;DS-14794;SY049649;CS-0128392;D4519;FT-0610173;EN300-140495;J-009999;Z335244716

Chemical Property of 2,4-Dimethylbenzyl alcohol

Chemical Property:

• Appearance/Colour: Clear colorless to slightly yellow
• Vapor Pressure: 0.0337mmHg at 25°C
• Melting Point: 22°C
• Refractive Index: n20/D 1.534(lit.)
• Boiling Point: 232 °C at 760 mmHg
• PKA: 14.50±0.10(Predicted)
• Flash Point: 101.7 °C
• PSA: 20.23000
• Density: 1.002 g/cm³
• LogP: 1.79570
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

97% ^*data from raw suppliers

(2,4-Dimethylphenyl)methanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)CO)C

Technology Process of 2,4-Dimethylbenzyl alcohol

There total 24 articles about 2,4-Dimethylbenzyl 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%

2,4-dimethylbenzaldehyde (15764-16-6) → 2,4-dimethylbenzyl alcohol (16308-92-2)

Guidance literature:

2,4-dimethylbenzaldehyde; With sodium tetrahydroborate; In methanol; at 0 ℃; for 1h;

With water;

Reference yield: 97.0%

pentan-3-one (96-22-0) + 5-methylphthalan → 2,4-dimethylbenzyl alcohol (16308-92-2) + 3-[(2-hydroxymethyl-5-methyl)phenyl]pentan-3-ol

Guidance literature:

5-methylphthalan; With 4,4'-di-tert-butylbiphenyl; lithium; In tetrahydrofuran; at -78 ℃; Inert atmosphere;

pentan-3-one; In tetrahydrofuran; at -78 ℃; Inert atmosphere;

With water; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.3987/COM-08-S(F)85

Reference yield: 96.2%

2,4-dimethyl-benzoic acid methyl ester (23617-71-2) → 2,4-dimethylbenzyl alcohol (16308-92-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; 1.) reflux, 3 h, 2.) room temp., overnight;

DOI:10.1007/BF00807400

upstream raw materials:

2,4-dimethylbenzyl acetate

2,4-dimethylbenzaldehyde

2,4-dimethyl-benzyl chloride

2,4-dimethyl-benzoic acid

Downstream raw materials:

lauric acid-(2,4-dimethyl-benzyl ester)

formaldehyde-[bis-(2,4-dimethyl-benzyl)-acetal]

bis-(2,4-dimethyl-benzyloxymethyl)-ether

Bis-(2,4-dimethylbenzyl)-ether