2,4-DIISOPROPYLPHENOL

Base Information

• Chemical Name: 2,4-DIISOPROPYLPHENOL
• CAS No.: 2934-05-6
• Molecular Formula: C12H18 O
• Molecular Weight: 178.274
• Hs Code.: 2907199090
• European Community (EC) Number: 220-906-1
• UNII: YD41XSG2L8
• DSSTox Substance ID: DTXSID7042273
• Nikkaji Number: J79.307H
• Wikidata: Q27294468
• ChEMBL ID: CHEMBL29799
• Mol file: 2934-05-6.mol

Synonyms:Phenol,2,4-diisopropyl- (6CI,7CI,8CI); 2,4-Diisopropylphenol

Chemical Property of 2,4-DIISOPROPYLPHENOL

Chemical Property:

• Vapor Pressure: 0.0199mmHg at 25°C
• Melting Point: 37.99°C (estimate)
• Refractive Index: n20/D 1.5130(lit.)
• Boiling Point: 79-80 °C(lit.)
• PKA: 10.76±0.18(Predicted)
• Flash Point: >230 °F
• PSA: 20.23000
• Density: 0.948 g/mL at 25 °C(lit.)
• LogP: 3.63900
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Sparingly soluble at water (0.25 g/L at 25°C).
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

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

2,4-Diisopropylphenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C=C1)O)C(C)C
• Uses: 2,4-Diisopropylphenol is a related compound of Propofol (P829750), as an antioxidant. 2,4-Diisopropylphenol (Propofol EP Impurity A) is a related compound of Propofol (P829750), as an antioxidant. 2,4-Diisopropylphenol may be used in the preparation of N,N-bis(3,5-diisopropyl-2-hydroxybenyl)-N′,N′-dimethyl-1,2-diaminoethane.

Technology Process of 2,4-DIISOPROPYLPHENOL

There total 34 articles about 2,4-DIISOPROPYLPHENOL 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:

ethanol (64-17-5) + 2-methoxy-phenol (90-05-1) → 3,5-Di-tert-butylcatechol (1020-31-1,122983-47-5,881376-69-8) + 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) + 2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2) + 2,6-di-tert-butyl-4-methoxymethylene-phenol (87-97-8) + 3,5-Di-tert-butylphenol (1138-52-9) + 2,4-dimethyl-6-tert-butylphenol (1879-09-0) + 2-(2',5'-dimethoxyphenyl)propionaldehyde (52417-48-8) + 2,6-di-tert-butyl-4-sec-butylphenol (17540-75-9) + 1,2-diethoxybenzene (2050-46-6) + 1,4-dimethoxy-2-tert-butylbenzene (21112-37-8) + 1-ethoxy-4-methoxybenzene (5076-72-2) + 2,5-di(tert-amyl)-1,4-hydroquinone (79-74-3) + 2,4-di-tert-amylphenol (120-95-6) + 2,5-diethyl phenol (876-20-0) + 4-ethoxy-3-methoxytoluene (33963-27-8) + 1,2-dimethoxy-4-butylbenzene (59056-76-7) + 1,2-diethoxy-4-ethyl-benzene (131358-04-8) + 3,5-di-t-butyl-4-hydroxybenzaldehyde (1620-98-0)

Guidance literature:

With ortho-tungstic acid; at 300 ℃; for 6h; Autoclave;

DOI:10.1039/c8ra07962e

Reference yield:

ethanol (64-17-5) + 2-methoxy-phenol (90-05-1) → 2-Ethoxyphenol (94-71-3) + 3,5-Di-tert-butylcatechol (1020-31-1,122983-47-5,881376-69-8) + 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) + 2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2) + 2,6-di-tert-butyl-4-methoxymethylene-phenol (87-97-8) + 3,5-Di-tert-butylphenol (1138-52-9) + 2,4-dimethyl-6-tert-butylphenol (1879-09-0) + 2-(2',5'-dimethoxyphenyl)propionaldehyde (52417-48-8) + 2,6-di-tert-butyl-4-sec-butylphenol (17540-75-9) + 1,2-diethoxybenzene (2050-46-6) + 1,4-dimethoxy-2-tert-butylbenzene (21112-37-8) + 1-ethoxy-4-methoxybenzene (5076-72-2) + 2,5-di(tert-amyl)-1,4-hydroquinone (79-74-3) + 2,4-di-tert-amylphenol (120-95-6) + 2,5-diethyl phenol (876-20-0) + 4-ethoxy-3-methoxytoluene (33963-27-8) + 1,2-dimethoxy-4-butylbenzene (59056-76-7) + 1,2-diethoxy-4-ethyl-benzene (131358-04-8) + 3,5-di-t-butyl-4-hydroxybenzaldehyde (1620-98-0)

Guidance literature:

With tungsten(VI) oxide; at 300 ℃; for 6h; Reagent/catalyst; Autoclave;

DOI:10.1039/c8ra07962e

Reference yield:

ethanol (64-17-5) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 3,5-Di-tert-butylcatechol (1020-31-1,122983-47-5,881376-69-8) + 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) + 2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2) + 2,6-di-tert-butyl-4-methoxymethylene-phenol (87-97-8) + 3,5-Di-tert-butylphenol (1138-52-9) + 2,4-dimethyl-6-tert-butylphenol (1879-09-0) + 2-(2',5'-dimethoxyphenyl)propionaldehyde (52417-48-8) + 2,6-di-tert-butyl-4-sec-butylphenol (17540-75-9) + 1,2-diethoxybenzene (2050-46-6) + 1,4-dimethoxy-2-tert-butylbenzene (21112-37-8) + 1-ethoxy-4-methoxybenzene (5076-72-2) + 2,5-di(tert-amyl)-1,4-hydroquinone (79-74-3) + 2,4-di-tert-amylphenol (120-95-6) + 2,5-diethyl phenol (876-20-0) + 4-ethoxy-3-methoxytoluene (33963-27-8) + 1,2-dimethoxy-4-butylbenzene (59056-76-7) + 1,2-diethoxy-4-ethyl-benzene (131358-04-8) + 3,5-di-t-butyl-4-hydroxybenzaldehyde (1620-98-0)

Guidance literature:

With ortho-tungstic acid; at 300 ℃; for 6h; Autoclave;

DOI:10.1039/c8ra07962e

upstream raw materials:

isopropoxybenzene

3,5-diisopropylsalicylic acid

isopropyl alcohol

phenol

Downstream raw materials:

2-(1-methylethyl)phenol

4-Isopropylphenol

2,4-diisopropylphenol linoleic acid

2,4-diisopropylphenol arachidonic acid

Refernces

• 1、 Mai, Fuhang,Cui, Kai,Wen, Zhe,Wu, Kai,Yan, Fei,Chen, Mengmeng,Chen, Hong,Li, Yongdan. "Highly selective conversion of guaiacol to: Tert -butylphenols in supercritical ethanol over a H2WO4 catalyst". . p. 2764 - 2771. Retrieved 2019/02/01.
• 2、 -. "Low Triphenylphosphate, High Phosphorous Content Isopropyl Phenyl Phosphates With High Ortho Alkylation". Page/Page column 9. . Retrieved 2012/01/14.