2-METHYLPHENETHYL ALCOHOL

Base Information

• Chemical Name: 2-METHYLPHENETHYL ALCOHOL
• CAS No.: 19819-98-8
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 29062990
• European Community (EC) Number: 243-349-6
• NSC Number: 409882
• UNII: VX8700JGJP
• DSSTox Substance ID: DTXSID1047071
• Nikkaji Number: J149.931I
• Wikidata: Q27292073
• ChEMBL ID: CHEMBL3182526
• Mol file: 19819-98-8.mol

Synonyms:Phenethylalcohol, o-methyl- (8CI);2-(2-Methylphenyl)ethanol;o-Methylphenethyl alcohol;2-Methylbenzeneethanol;2-Methylphenethyl alcohol;NSC 409882;

Chemical Property of 2-METHYLPHENETHYL ALCOHOL

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 0.0172mmHg at 25°C
• Melting Point: 1°C
• Refractive Index: n20/D 1.535(lit.)
• Boiling Point: 243.5 °C at 760 mmHg
• PKA: 14.87±0.10(Predicted)
• Flash Point: 108.3 °C
• PSA: 20.23000
• Density: 1.001 g/cm³
• LogP: 1.52980
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 12.339g/L at 24℃
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

99.9% ^*data from raw suppliers

2-(o-Tolyl)ethanol ^*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=C1CCO
• Uses: 2-Methylphenethyl alcohol may be used in chemical synthesis.

Technology Process of 2-METHYLPHENETHYL ALCOHOL

There total 54 articles about 2-METHYLPHENETHYL 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%

isochromane (493-05-0) → 2-o-tolylethanol (19819-98-8)

Guidance literature:

With lithium; In tetrahydrofuran; mineral oil; at -78 ℃; for 2h; Temperature; Inert atmosphere;

DOI:10.1021/acs.joc.5b01136

Reference yield: 97.0%

o-methylphenylacetic acid (644-36-0) → 2-o-tolylethanol (19819-98-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/ja00254a051

Reference yield: 93.0%

potassium trifluoro(2-methylphenethyl)borate → 2-o-tolylethanol (19819-98-8)

Guidance literature:

With rose bengal; triethylamine; In ethanol; at 25 ℃; for 12h; Schlenk technique; Irradiation;

DOI:10.1021/acs.orglett.8b02095

upstream raw materials:

1-(chloromethoxymethyl)-2-methylbenzene

o-methylphenylacetic acid

methyl 4-(N,N-dipropylsulfamoyl)benzoate

oxirane

Downstream raw materials:

1-(2-iodoethyl)-2-methylbenzene

2-[1-(4-Chlorophenylsulfonyl)-3-(2-methylphenyl)propyl]-1,4-difluorobenzene

(-)-(2R,3'S,4'R,6'R)-6'-(2-(tert-butyldiphenylsilyloxy)ethyl)-4'-(triisopropylsilyloxy)-3',4,4',5,5',6'-hexahydro-1H-spiro[benzo[d]oxepine-2,2'-pyran]-3'-ol

(+)-(2S,3'S,4'R,6'R)-6'-(2-(tert-butyldiphenylsilyloxy)ethyl)-4'-(triisopropylsilyloxy)-3',4,4',5,5',6'-hexahydro-1H-spiro[benzo[d]oxepine-2,2'-pyran]-3'-ol

Refernces

• 1、 Huang, Cheng,Lu, Qingquan,Ma, Wan,Qi, Xiaotian,Xu, Minghao,Zheng, Xuelian. "Epoxide Electroreduction". supporting information. p. 1389 - 1395. Retrieved 2022/01/19.
• 2、 Bettoni, Leó,Gaillard, Sylvain,Renaud, Jean-Luc. "Iron-Catalyzed β-Alkylation of Alcohols". supporting information. p. 8404 - 8408. Retrieved 2019/10/16.