alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene

Base Information

• Chemical Name: alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene
• CAS No.: 1999-85-5
• Molecular Formula: C12H18O2
• Molecular Weight: 194.274
• Hs Code.: 2906299090
• European Community (EC) Number: 217-886-1
• UNII: G9PAL4YV6C
• DSSTox Substance ID: DTXSID80883535
• Nikkaji Number: J28.516A
• Wikidata: Q27278975
• Mol file: 1999-85-5.mol

Synonyms:1999-85-5;alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene;2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1,3-Bis(alpha-hydroxyisopropyl)benzene;2,2'-(1,3-phenylene)dipropan-2-ol;2,2'-(1,3-Phenylene)bis(propan-2-ol);UNII-G9PAL4YV6C;G9PAL4YV6C;1,3-Benzenedimethanol, .alpha.,.alpha.,.alpha.',.alpha.'-tetramethyl-;alpha,alpha/'-Dihydroxy-1,3-diisopropylbenzene;.alpha.,.alpha.'-Dihydroxy-m-diisopropylbenzene;2,2'-(m-Phenylene)di-2-propanol;EINECS 217-886-1;1,3-bis(2-hydroxy-2-propyl)benzene;1,3-bis(1-hydroxy-1-methylethyl)benzene;1,3-Benzenedimethanol, alpha,alpha,alpha',alpha'-tetramethyl-;EC 217-886-1;alpha,alpha,alpha',alpha'-Tetramethyl-1,3-benzenedimethanol;1,3-Benzenedimethanol, alpha1,alpha1,alpha3,alpha3-tetramethyl-;alpha,alpha,alpha',alpha'-Tetramethyl-m-xylene-alpha,alpha'-diol;1,3-Benzenedimethanol, .alpha.1,.alpha.1,.alpha.3,.alpha.3-tetramethyl-;Meta-diol;SCHEMBL304190;DTXSID80883535;1,3-bis(hydroxyisopropyl) benzene;1,3-BIS(2-PROPANOL)BENZENE;1,3-di(2-hydroxy-2-propyl)benzene;MFCD00059139;AKOS015889109;M-BIS(2-HYDROXYISOPROPYL)BENZENE;2,2'-(1,3-Phenylene)di(2-propanol);1,3-DI(2-HYDROXYISOPROPYL)BENZENE;1,3-BIS(2-HYDROXYISOPROPYL)BENZENE;alpha,alpha-Dihydroxy-1,3-diisopropylbenzene;CS-0204547;D1788;FT-0744747;EN300-79886;M-BIS(.ALPHA.-HYDROXYISOPROPYL)BENZENE;D89927;1,3-Benzenedimethanol,a1,a1,a3,a3-tetramethyl-;W-109736;Q27278975;Z1217215039;.ALPHA.,.ALPHA.'-DIHYDROXY-1,3-DIISOPROPYLBENZENE;alpha , alpha , alpha ', alpha '-Tetramethyl-1,3-benzenedimethanol;.ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-M-BENZENEDIMETHANOL;.ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-M-XYLYLENEDIOL;M-XYLENE-.ALPHA.,.ALPHA.'-DIOL, .ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-

Chemical Property of alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene

Chemical Property:

• Melting Point: 137-140 °C(lit.)
• Boiling Point: 295.6 °C at 760 mmHg
• PKA: 14.19±0.29(Predicted)
• Flash Point: 134.6 °C
• PSA: 40.46000
• Density: 1.051 g/cm³
• LogP: 2.14140
• Solubility.: soluble in Methanol
• Water Solubility.: 2.66g/L at 20℃
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 177

Purity/Quality:

99.9% ^*data from raw suppliers

alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene

There total 7 articles about alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene 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: 85.0%

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene (13387-60-5) → 1,3-bis(1',1'-dimethylhydroxymethyl)benzene (1999-85-5)

Guidance literature:

With hydrogen; 0.5% Pd/Al2O3; In 4-methyl-2-pentanone; at 98 ℃; for 1h; under 3750.38 Torr; Conversion of starting material;

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:

1,3-diisopropylbenzene

oxygen

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

Downstream raw materials:

1-(1-methyl-1-hydroxyethyl)-3-(1-methyl-1-tert-butylperoxyethyl)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.,Moshchenko, V. S.,Potekhin, V. M.,Ovchinnikov, V. I.,Kozlov, S. K.,Mushenko, V. D.. "KINETICS OF m-DIISOPROPYLBENZENE OXIDATION AND COMPOSITION OF THE PRODUCTS". . p. 597 - 601. Retrieved 2007/10/02.