3,5-Dimethylbenzyl alcohol

Base Information

• Chemical Name: 3,5-Dimethylbenzyl alcohol
• CAS No.: 27129-87-9
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 29062990
• European Community (EC) Number: 248-241-2
• UNII: 7UXP4Z8EX9
• DSSTox Substance ID: DTXSID30181593
• Nikkaji Number: J101.203G
• Wikidata: Q72469463
• Mol file: 27129-87-9.mol

Synonyms:3,5-DIMETHYLBENZYL ALCOHOL;27129-87-9;(3,5-Dimethylphenyl)methanol;3,5-Dimethylbenzylalcohol;3,5-Dimethylbenzenemethanol;Benzenemethanol, 3,5-dimethyl-;Benzyl alcohol, 3,5-dimethyl-;EINECS 248-241-2;MFCD00004648;7UXP4Z8EX9;SCHEMBL92965;3,5-Dimethyl benzyl alcohol;(3,5-Dimethylphenyl)methanol #;DTXSID30181593;3,5-Dimethylbenzyl alcohol, 98%;BCP32520;3,5-Dimethyl-1-hydroxymethylbenzene;AKOS009157538;1-(Hydroxymethyl)-3,5-dimethylbenzene;AS-18666;SY009135;CS-0153260;FT-0614691;EN300-1259109;A818924;J-511356;(3,5-dimethylphenyl)methanol

Chemical Property of 3,5-Dimethylbenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.0689mmHg at 25°C
• Melting Point: 218-221 °C(lit.)
• Refractive Index: n20/D 1.531(lit.)
• Boiling Point: 219.5 °C at 760 mmHg
• PKA: 14?+-.0.10(Predicted)
• Flash Point: 106.7 °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: 90.9

Purity/Quality:

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

3,5-Dimethylbenzyl alcohol ^*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(=CC(=C1)CO)C
• Uses: 3,5-Dimethylbenzyl Alcohol is used in preparation of Aromatic Aldehyde.

Technology Process of 3,5-Dimethylbenzyl alcohol

There total 27 articles about 3,5-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: 99.0%

3,5-dimethylbenzaldehyde (5779-95-3) → 3,5-dimethylbenzyl alcohol (27129-87-9)

Guidance literature:

With C₃₀H₃₇ClN₄ORu; hydrogen; sodium t-butanolate; In toluene; at 105 ℃; for 20h; under 4500.45 Torr; Glovebox; Sealed tube;

DOI:10.1021/acs.organomet.8b00470

Reference yield: 98.5%

methyl 3,5-dimethylbenzoate (25081-39-4) → 3,5-dimethylbenzyl alcohol (27129-87-9)

Guidance literature:

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

DOI:10.1007/BF00807400

Reference yield: 94.0%

1,3,5-trimethyl-benzene (108-67-8) → 3,5-dimethylbenzyl alcohol (27129-87-9)

Guidance literature:

With MnO⁽²⁺⁾*C₂₃H₂₁N₅*CHF₃O₃S; In 2,2,2-trifluoroethanol; acetonitrile; at -0.16 ℃; Reagent/catalyst; Kinetics;

DOI:10.1002/anie.201602460

upstream raw materials:

3,5-dimethylbenzaldehyde

3,5-dimethylbenzyl acetate

3,5-dimethylbenzoic acid

formaldehyd

Downstream raw materials:

3,5-dimethylbenzaldehyde

3-(3,5-dimethyl-benzyl)-1-(tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione

(3,5-dimethylbenzyloxy)trimethylsilane

(E)-1-(-3,5-dimethylphenyl)-2-phenylethene

Refernces

• 1、 Amberchan, Gabriella,Snelling, Rachel A.,Moya, Enrique,Landi, Madison,Lutz, Kyle,Gatihi, Roxanne,Singaram, Bakthan. "Reaction of Diisobutylaluminum Borohydride, a Binary Hydride, with Selected Organic Compounds Containing Representative Functional Groups". supporting information. p. 6207 - 6227. Retrieved 2021/05/06.
• 2、 Akhtar, Naved,Antil, Neha,Balendra,Begum, Wahida,Kumar, Ajay,Manna, Kuntal,Newar, Rajashree,Shukla, Sakshi. "Single-Site Cobalt-Catalyst Ligated with Pyridylimine-Functionalized Metal-Organic Frameworks for Arene and Benzylic Borylation". . p. 10473 - 10481. Retrieved 2020/08/05.