3,5-Diethylphenol

Base Information

• Chemical Name: 3,5-Diethylphenol
• CAS No.: 1197-34-8
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• Hs Code.: 2907199090
• European Community (EC) Number: 214-824-5
• UNII: 3J020II895
• DSSTox Substance ID: DTXSID80152551
• Nikkaji Number: J43.444B
• Wikidata: Q27257280
• Mol file: 1197-34-8.mol

Synonyms:3,5-Diethylphenol;Phenol, 3,5-diethyl-;1197-34-8;EINECS 214-824-5;UNII-3J020II895;3J020II895;SCHEMBL207718;DTXSID80152551;AMY31722;MB12197;Q27257280

Chemical Property of 3,5-Diethylphenol

Chemical Property:

• Vapor Pressure: 0.0115mmHg at 25°C
• Melting Point: 76°C
• Refractive Index: 1.5091 (estimate)
• Boiling Point: 253.4°Cat760mmHg
• Flash Point: 114.7°C
• PSA: 20.23000
• Density: 0.978g/cm³
• LogP: 2.51700
• XLogP3: 3.2
• 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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,5-Diethylphenol

There total 21 articles about 3,5-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: 78.0%

4-Ethylphenol (123-07-9) → 3,5-diethylphenol (1197-34-8)

Guidance literature:

4-Ethylphenol; With aluminum (III) chloride; at 115 ℃; for 4h;

With water; at 0 - 60 ℃;

Reference yield: 75.0%

4,6-diethyl-2-hydroxyisophthalic acid (906623-13-0) → 3,5-diethylphenol (1197-34-8)

Guidance literature:

With quinoline; at 210 ℃; for 0.333333h;

DOI:10.1002/ejoc.200600030

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 2,6-di-tert-butylphenol (128-39-2) + 2,4-diisopropylphenol (2934-05-6) + 2,6-diisopropylphenol (2078-54-8) + 2,4,6-triisopropylphenol (2934-07-8) + 2,6-di-tert-butyl-4-ethylphenol (4130-42-1) + 3,5-diethylphenol (1197-34-8) + 2,5-di-tert-butylphenol (5875-45-6) + 2,5-diethyl phenol (876-20-0) + 2,5-di-(sec-butyl)phenol (54932-77-3)

Guidance literature:

With molybdenum(VI) oxide; In ethanol; at 280 ℃; for 4h; Inert atmosphere;

upstream raw materials:

o-Hydroxyethylbenzene

4-Ethylphenol

3-ethylphenol

diethyl ether

Downstream raw materials:

(+/-)-3-<3,5-Diethyl-phenoxy>-butan-2-on

carbonic acid 3,5-diethylphenyl ester ethyl ester

3,5-diethylphenyl-N-methylcarbamate

2,6-diethylhydroquinone

Refernces

• 1、 Yan, Fei,Sang, Yushuai,Bai, Yunfei,Wu, Kai,Cui, Kai,Wen, Zhe,Mai, Fuhang,Ma, Zewei,Yu, Linhao,Chen, Hong,Li, Yongdan. "Guaiacol demethoxylation catalyzed by Re2O7 in ethanol". . p. 231 - 237. Retrieved 2019/08/12.
• 2、 Negoro, Nobuyuki,Sasaki, Shinobu,Mikami, Satoshi,Ito, Masahiro,Tsujihata, Yoshiyuki,Ito, Ryo,Suzuki, Masami,Takeuchi, Koji,Suzuki, Nobuhiro,Miyazaki, Junichi,Santou, Takashi,Odani, Tomoyuki,Kanzaki, Naoyuki,Funami, Miyuki,Morohashi, Akio,Nonaka, Masami,Matsunaga, Shinichiro,Yasuma, Tsuneo,Momose, Yu. "Optimization of (2,3-dihydro-1-benzofuran-3-yl)acetic acids: Discovery of a non-free fatty acid-like, highly bioavailable G protein-coupled receptor 40/free fatty acid receptor 1 agonist as a glucose-dependent insulinotropic agent". experimental part. p. 3960 - 3974. Retrieved 2012/07/28.