m-Hydroxydiisopropylbenzene

Base Information

• Chemical Name: m-Hydroxydiisopropylbenzene
• CAS No.: 14860-89-0
• Molecular Formula: C12H18 O
• Molecular Weight: 178.274
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID40164034
• Nikkaji Number: J28.652D
• Wikidata: Q83033064
• Mol file: 14860-89-0.mol

Synonyms:14860-89-0;m-Hydroxydiisopropylbenzene;m-Oxidiisopropylbenzene;2-(3-propan-2-ylphenyl)propan-2-ol;2-(3-iso-Propylphenyl)-2-propanol;BRN 2250517;Benzenemethanol, alpha,alpha-dimethyl-3-(1-methylethyl)- (9CI);2-[3-(propan-2-yl)phenyl]propan-2-ol;2-(3-ISOPROPYLPHENYL)PROPAN-2-OL;3-Isopropyl-alpha,alpha-dimethylbenzyl alcohol;alpha,alpha-Dimethyl-m-isopropylbenzyl alcohol;Benzenemethanol, alpha,alpha-dimethyl-3-(1-methylethyl)-;BENZYL ALCOHOL, alpha,alpha-DIMETHYL-m-ISOPROPYL-;2-(m-Cumenyl)-2-propanol;SCHEMBL3370465;DTXSID40164034;m-isopropylphenyl dimethyl carbinol;AKOS037646145;AS-66881;LS-42956;CS-0273809;m-isopropyl-alpha,alpha-dimethylbenzyl alcohol;D93398;EN300-1846991

Chemical Property of m-Hydroxydiisopropylbenzene

Chemical Property:

• Vapor Pressure: 0.0499mmHg at 25°C
• Melting Point: 36-37 °C
• Boiling Point: 225.2°C at 760 mmHg
• PKA: 14.52±0.29(Predicted)
• Flash Point: 105.5°C
• PSA: 20.23000
• Density: 0.952g/cm³
• LogP: 3.03740
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of m-Hydroxydiisopropylbenzene

There total 9 articles about m-Hydroxydiisopropylbenzene 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: 80.0%

1,3-diisopropylbenzene (99-62-7) + 3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene (80-24-0) → 3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene (13387-60-5) + 2-(3-isopropyl-phenyl)-propan-2-ol (14860-89-0)

Guidance literature:

In various solvent(s); at 110 ℃; Rate constant; thermal decomposition, oth. temperature;

Reference yield:

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene (13387-60-5) → m-(2-hydroperoxy-2-propyl)acetophenone + 1,3-bis(1',1'-dimethylhydroxymethyl)benzene (1999-85-5) + 3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene (80-24-0) + 1,3-di(2-hydroperoxy-2-propyl)benzene (721-26-6) + acetylisopropylbenzene monocarbinol (87771-41-3) + 2-(3-isopropyl-phenyl)-propan-2-ol (14860-89-0) + 1-[3-(propan-2-yl)phenyl]ethan-1-one (40428-87-3)

Guidance literature:

With sodium hydroxide; In water; 4-methyl-2-pentanone; at 90 ℃; Heating / reflux;

Reference yield:

1,3-diisopropylbenzene (99-62-7) + oxygen (80937-33-3) → m-(2-hydroperoxy-2-propyl)acetophenone + 1,3-bis(1',1'-dimethylhydroxymethyl)benzene (1999-85-5) + 3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene (13387-60-5) + 1,3-di(2-hydroperoxy-2-propyl)benzene (721-26-6) + acetylisopropylbenzene monocarbinol (87771-41-3) + 2-(3-isopropyl-phenyl)-propan-2-ol (14860-89-0) + 1-[3-(propan-2-yl)phenyl]ethan-1-one (40428-87-3)

Guidance literature:

With sodium hydroxide; 3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene; In water; at 90 ℃;

upstream raw materials:

3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene

1,3-diisopropylbenzene

oxygen

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene

Downstream raw materials:

1-(α-chloro-isopropyl)-3-isopropyl-benzene

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene

Refernces

• 1、 -. "Process for the production of a dihydroxybenzene and dicarbinol from diisopropylbenzene". Example 1. . Retrieved 2008/06/13.
• 2、 Tovstokhat'ko, F. I.,Ovchinnikov, V. I.,Potekhin, V. M.. "INHIBITED DECOMPOSITION OF HYDROPEROXIDES". . p. 1382 - 1384. Retrieved 2007/10/02.