2,6-Diethylphenol

Base Information

• Chemical Name: 2,6-Diethylphenol
• CAS No.: 1006-59-3
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 29071990
• European Community (EC) Number: 213-744-8
• UNII: FXC69FTD6U
• DSSTox Substance ID: DTXSID5061401
• Nikkaji Number: J141.399F
• Wikidata: Q27278257
• ChEMBL ID: CHEMBL30014
• Mol file: 1006-59-3.mol

Synonyms:2,6-Diethylphenol;1006-59-3;Phenol, 2,6-diethyl-;BRN 2207162;EINECS 213-744-8;UNII-FXC69FTD6U;FXC69FTD6U;CHEMBL30014;4-06-00-03351 (Beilstein Handbook Reference);2,6-Diethyphenol;DIE;2,6-Diethyl-phenol;SCHEMBL199730;2,6-Diethylphenol, AldrichCPR;DTXSID5061401;3f34;3f35;BDBM50409540;MFCD01707589;STK505573;AKOS000321194;AM84301;CS-W006844;DS-1661;AC-11162;LS-104352;FT-0655217;EN300-196183;A800254;W-108949;Q27278257;75302-04-4

Chemical Property of 2,6-Diethylphenol

Chemical Property:

• Vapor Pressure: 0.057mmHg at 25°C
• Melting Point: 37.5°C
• Refractive Index: 1.527
• Boiling Point: 225.656 °C at 760 mmHg
• PKA: 10.57±0.10(Predicted)
• Flash Point: 99.542 °C
• PSA: 20.23000
• Density: 0.979 g/cm³
• LogP: 2.51700
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 99.4

Purity/Quality:

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

2,6-Diethylphenol ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)CC)O

Technology Process of 2,6-Diethylphenol

There total 27 articles about 2,6-Diethylphenol 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: 89.2%

4-hydroxy-3,5-diethylbenzoic acid (7192-42-9) → 2,6-diethylphenol (1006-59-3)

Guidance literature:

With decarboxylase; at 25 ℃; for 15h; pH=6.5; Enzymatic reaction;

Reference yield: 72.0%

2,6-diethylaniline (579-66-8) → 2,6-diethylphenol (1006-59-3)

Guidance literature:

With sulfuric acid; sodium nitrite; In water; at 90 - 100 ℃;

DOI:10.1039/c1cc11681a

Reference yield: 65.0%

2,4-diamino-5-bromomethyl-pyrimidine (17326-35-1) → 2,6-diethylphenol (1006-59-3)

Guidance literature:

upstream raw materials:

2,6-diethylaniline

ethene

2-cyclohexylphenol

2,6-diethyl-4-chloro-phenol

Downstream raw materials:

2-(3,5-diethyl-4-hydroxy-phenylazo)-3-methyl-benzothiazolium betaine

1-(3,5-diethyl-4-hydroxy-phenyl)-ethanone

2,6-diethylphenoxyacetic acid

1-<4-Acetoxy-3.5-diethyl-phenyl>-1.2.3-triphenyl-cyclopropen

Refernces

• 1、 Carrion, M. Carmen,Cole-Hamilton, David J.. "Halide-free ethylation of phenol by multifunctional catalysis using phosphinite ligands". . p. 4527 - 4529. Retrieved 2006.
• 2、 Strassberger, Zea,Tanase, Stefania,Rothenberg, Gadi. "Reductive dealkylation of anisole and phenetole: Towards practical lignin conversion". . p. 5246 - 5249. Retrieved 2011.
• 3、 -. "Preparation method of propofol and structural analogues of propofol". Paragraph 0091. . Retrieved 2017/08/28.
• 4、 Ieda, Naoya,Nakagawa, Hidehiko,Horinouchi, Taeko,Peng, Tao,Yang, Dan,Tsumoto, Hiroki,Suzuki, Takayoshi,Fukuhara, Kiyoshi,Miyata, Naoki. "Peroxynitrite generation from a NO-releasing nitrobenzene derivative in response to photoirradiation". supporting information; experimental part. p. 6449 - 6451. Retrieved 2011/06/27.