(2,3-Dimethylphenyl)methanol

Base Information

• Chemical Name: (2,3-Dimethylphenyl)methanol
• CAS No.: 13651-14-4
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 2906299090
• European Community (EC) Number: 808-013-0
• NSC Number: 59890
• UNII: 425SS1L63Q
• DSSTox Substance ID: DTXSID50929454
• Nikkaji Number: J43.366G
• Wikidata: Q27258496
• Mol file: 13651-14-4.mol

Synonyms:(2,3-Dimethylphenyl)methanol;13651-14-4;2,3-Dimethylbenzyl alcohol;Benzenemethanol, 2,3-dimethyl-;UNII-425SS1L63Q;Benzyl alcohol, 2,3-dimethyl-;425SS1L63Q;NSC 59890;NSC-59890;Benzenemethanol, dimethyl-;Hemellitenol;xylene-methanol;SCHEMBL92946;2,3-dimethyl-benzenemethanol;DTXSID50929454;NSC59890;1-hydroxymethyl-2,3-dimethylbenzene;MFCD00046742;AKOS009159427;AM83253;DS-2632;(2,3-dimethylphenyl)methanol, AldrichCPR;TS-01758;CS-0153611;D4496;FT-0713379;EN300-1855737;A853262;Q27258496;62862-32-2

Chemical Property of (2,3-Dimethylphenyl)methanol

Chemical Property:

• Vapor Pressure: 0.0479mmHg at 25°C
• Melting Point: 63.0 to 67.0 °C
• Refractive Index: 1.536
• Boiling Point: 225.9 °C at 760 mmHg
• Flash Point: 101.7 °C
• PSA: 20.23000
• Density: 1.002g/cm³
• LogP: 1.79570
• Storage Temp.: Inert atmosphere,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:

98%min ^*data from raw suppliers

(2,3-Dimethylphenyl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2,3-Dimethylphenyl)methanol

There total 15 articles about (2,3-Dimethylphenyl)methanol 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: 98.5%

methyl 2,3-dimethylbenzoate (15012-36-9) → (2,3-dimethylphenyl)methanol (13651-14-4)

Guidance literature:

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

DOI:10.1007/BF00807400

Reference yield: 96.0%

2,3-dimethylbenzaldehyde (5779-93-1) → (2,3-dimethylphenyl)methanol (13651-14-4)

Guidance literature:

With alumina; isopropyl alcohol; at 180 ℃; for 0.666667h; under 11251.1 Torr; Microwave irradiation; Sealed tube;

DOI:10.1002/cctc.202001284

Reference yield: 95.0%

2,3-dimethylbenzoic acid (603-79-2) → (2,3-dimethylphenyl)methanol (13651-14-4)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1002/hlca.19900730105

upstream raw materials:

formaldehyd

diethyl ether

acetic acid-(2,3-dimethyl-benzyl ester)

2,3-dimethylbenzylamine

Downstream raw materials:

1,2,3-trimethylbenzene

2,3-dimethylbenzyl chloride

1-(bromomethyl)-2,3-dimethylbenzene

2,3-dimethylbenzoic acid

Refernces

• 1、 Tsujimoto, Yuji,Noda, Tsutomu,Shimizu, Mitsuru,Moriwaki, Hiroshi,Tanaka, Masanobu. "Synthesis of regioisomeric dimethylbenzyl mercapturic acids anticipated from the metabolism of 1,2,3-trimethylbenzene". . p. 2065 - 2070. Retrieved 1999.
• 2、 Brasen,Hauser. "-". . . Retrieved 1963.
• 3、 Dhokale, Bhausaheb,Susarrey-Arce, Arturo,Pekkari, Anna,Runemark, August,Moth-Poulsen, Kasper,Langhammer, Christoph,H?relind, Hanna,Busch, Michael,Vandichel, Matthias,Sundén, Henrik. "Microwave-heated γ-Alumina Applied to the Reduction of Aldehydes to Alcohols". . p. 6344 - 6355. Retrieved 2020/10/28.
• 4、 -. "RENIN INHIBITORS". Page/Page column 21. . Retrieved 2011/04/13.