p-Hydroxydiisopropylbenzene

Base Information

• Chemical Name: p-Hydroxydiisopropylbenzene
• CAS No.: 3445-42-9
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• Hs Code.: 2906299090
• NSC Number: 5106
• UNII: GH36EQ56EZ
• DSSTox Substance ID: DTXSID30955993
• Nikkaji Number: J28.651F
• Wikidata: Q82935820
• Mol file: 3445-42-9.mol

Synonyms:3445-42-9;p-Hydroxydiisopropylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;p-Oxidiisopropylbenzene;2-(4-isopropylphenyl)propan-2-ol;2-[4-(propan-2-yl)phenyl]propan-2-ol;2-(4-iso-propylphenyl)-2-propanol;NSC 5106;BRN 1936571;Benzenemethanol, alpha,alpha-dimethyl-4-(1-methylethyl)-;alpha,alpha-Dimethyl-p-isopropylbenzyl alcohol;2-(4-Isopropylphenyl)-2-propanol;NSC-5106;2-(4-isopropyl-phenyl)-2-propanol;Benzyl alcohol, .alpha.,.alpha.-dimethyl-p-isopropyl-;BENZYL ALCOHOL, alpha,alpha-DIMETHYL-p-ISOPROPYL-;Benzenemethanol, .alpha.,.alpha.-dimethyl-4-(1-methylethyl)-;4-Isopropyl-|A,|A-dimethylbenzyl alcohol;NSC5106;2-(p-Cumenyl)-2-propanol;GH36EQ56EZ;SCHEMBL565578;DTXSID30955993;CHEBI:189408;(p-Isopropylphenyl)dimethylcarbinol;2-(p-Isopropylphenyl)-2-propanol;(4-Isopropylphenyl)dimethylcarbinol;AKOS012095222;LS-42957;CS-0233752;D87817;EN300-135882;.alpha.,.alpha.-Dimethyl-p-isopropylbenzyl alcohol;Benzyl alcohol, p-isopropyl-alpha,alpha-dimethyl-;alpha,alpha-Dimethyl-4-(1-methylethyl)benzenemethanol;alpha-Hydroxy-alpha'-(tert-butylperoxy)diisopropylbenzene;Benzenemethanol, alpha,alpha-dimethyl-4-(1-methylethyl)- (9CI);Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-

Chemical Property of p-Hydroxydiisopropylbenzene

Chemical Property:

• Melting Point: 42.5-43.0 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 225.2°Cat760mmHg
• PKA: 14.61±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: 153

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Isopropylphenyl)propan-2-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of p-Hydroxydiisopropylbenzene

There total 5 articles about p-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:

p-diisopropylbenzene dihydroperoxide (3159-98-6) → α,α-dimethyl-p-isopropylbenzyl alcohol (3445-42-9) + α,α,α',α'-tetramethyl-1,4-benzenedimethanol (2948-46-1) + 1-(4-isopropyl-phenyl)-1-methyl-ethyl hydroperoxide (98-49-7,30498-45-4) + hydroxyhydroperoxide of p-diisopropylbenzene (2948-45-0)

Guidance literature:

barium naphthenate; In various solvent(s); at 120 ℃; Product distribution; Rate constant; other temperature; other catalysts; the catalysts conc.; activity of catal;;

Reference yield:

1,4-bis(1-methylethyl)benzene (100-18-5) → α,α-dimethyl-p-isopropylbenzyl alcohol (3445-42-9)

Guidance literature:

With sodium hydroxide; pyrographite; Einleiten von Luft;

Reference yield:

1-(4-isopropyl-phenyl)-1-methyl-ethyl hydroperoxide (98-49-7,30498-45-4) → α,α-dimethyl-p-isopropylbenzyl alcohol (3445-42-9) + hydroxyhydroperoxide of p-diisopropylbenzene (2948-45-0) + C24H34O2 (7664-83-7)

Guidance literature:

With 2,6-di-tert-butyl-4-methyl-phenol; calcium naphthenate; In various solvent(s); at 130 ℃; Rate constant; oth. catalyst, oth. temperature, var. concentration;

upstream raw materials:

1,4-bis(1-methylethyl)benzene

4-isopropylacetophenone

1-(4-isopropyl-phenyl)-1-methyl-ethyl hydroperoxide

p-diisopropylbenzene dihydroperoxide

Downstream raw materials:

hydroxyhydroperoxide of p-diisopropylbenzene

2,3-di-p-cumyl-2,3-dimethylbutane

1-(α-chloro-isopropyl)-4-isopropyl-benzene

para-isopropenyl cumene