1,4-Bis(2-hydroxy-2-propyl)benzene

Base Information

• Chemical Name: 1,4-Bis(2-hydroxy-2-propyl)benzene
• CAS No.: 2948-46-1
• Molecular Formula: C12H18O2
• Molecular Weight: 194.274
• Hs Code.: 2906299090
• European Community (EC) Number: 220-964-8
• UNII: G785DRB5XH
• DSSTox Substance ID: DTXSID7029247
• Nikkaji Number: J28.515C
• Wikidata: Q27278881
• ChEMBL ID: CHEMBL3187761
• Mol file: 2948-46-1.mol

Synonyms:2948-46-1;1,4-BIS(1-METHYL-1-HYDROXYETHYL)BENZENE;1,4-Bis(2-hydroxy-2-propyl)benzene;P-BIS(2-HYDROXYISOPROPYL)BENZENE;1,4-BIS(2-HYDROXYISOPROPYL)BENZENE;alpha,alpha,alpha',alpha'-Tetramethyl-1,4-benzenedimethanol;2,2'-(1,4-Phenylene)bis(propan-2-ol);2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;HSDB 5907;p-Bis(alpha-hydroxyisopropyl)benzene;EINECS 220-964-8;UNII-G785DRB5XH;G785DRB5XH;alpha,alpha'-Dihydroxy-p-diisopropylbenzene;DTXSID7029247;alpha,alpha,alpha',alpha'-Tetramethyl-p-xylylenediol;2,2'-(1,4-phenylene)dipropan-2-ol;alpha,alpha,alpha',alpha'-Tetramethyl-p-benzenedimethanol;1,4-Benzenedimethanol, alpha,alpha,alpha',alpha'-tetramethyl-;alpha,alpha,alpha',alpha'-Tetramethyl-p-xylene-alpha,alpha'-diol;p-Xylene-alpha,alpha'-diol, alpha,alpha,alpha',alpha'-tetramethyl-;1,4-Benzenedimethanol, .alpha.,.alpha.,.alpha.',.alpha.'-tetramethyl-;.alpha.,.alpha.'-Dihydroxy-p-diisopropylbenzene;1,4-Benzenedimethanol, alpha1,alpha1,alpha4,alpha4-tetramethyl-;.alpha.,.alpha.,.alpha.',.alpha.'-Tetramethyl-1,4-benzenedimethanol;SCHEMBL196799;DTXCID309247;CHEMBL3187761;1,4-bis(hydroxyisopropyl) benzene;2,2'-(p-Phenylene)di-2-propanol;a,a'-Dihydroxy-p-diisopropylbenzene;CAA94846;Tox21_200476;MFCD00009827;1'.4'-Dioxy-1.4-diisopropylbenzol;AKOS015912564;1,4-Bis(alpha-hydroxyisopropyl)benzene;NCGC00248647-01;NCGC00258030-01;CAS-2948-46-1;1,4-Bis(2-hydroxyisopropyl)benzene, 97%;LS-195340;alpha,alpha'-dihydroxy-p-diisopropyl benzene;alpha,alpha-Dihydroxy-1,4-diisopropylbenzene;CS-0128436;D1577;FT-0606787;a,a,a',a'-tetramethyl-1,4-benzenedimethanol;alpha,alpha'-Dihydroxy-1,4-diisopropylbenzene;Benzene 1,4-di(alpha,alpha-dimethylmethanol);Y14692;P-BIS(2-HYDROXYISOPROPYL)BENZENE [HSDB];A819930;AE-562/43460607;2-[4-(1-hydroxy-1-methylethyl)phenyl]-2-propanol;J-017542;Q27278881;I+/-,I+/-,I+/-',I+/-'-Tetramethyl-1,4-benzenedimethanol

Chemical Property of 1,4-Bis(2-hydroxy-2-propyl)benzene

Chemical Property:

• Vapor Pressure: 0.000567mmHg at 25°C
• Melting Point: 144-146 °C
• Refractive Index: 1.527
• Boiling Point: 298.5 °C at 760 mmHg
• PKA: 14.25±0.29(Predicted)
• Flash Point: 149.4 °C
• PSA: 40.46000
• Density: 1.051 g/cm³
• LogP: 2.14140
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly Soluble in water (2.1 g/L) (25°C).
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 167

Purity/Quality:

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

α,α'-Dihydroxy-1,4-diisopropylbenzene >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C)O)O
• Uses: 1,4-Bis(2-hydroxyisopropyl)benzene is used as a pharmaceutical intermediate.

Technology Process of 1,4-Bis(2-hydroxy-2-propyl)benzene

There total 8 articles about 1,4-Bis(2-hydroxy-2-propyl)benzene 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:

1,4-bis(1-methylethyl)benzene (100-18-5) → α,α,α',α'-tetramethyl-1,4-benzenedimethanol (2948-46-1)

Guidance literature:

With cobalt naphthenate; oxygen; sodium carbonate; at 80 ℃; under 22065.2 Torr; Reagens 4: Natriumstearat;

Reference yield:

1,4-benzenedicarboxylic acid dimethyl ester (120-61-6) + methyl magnesium iodide (917-64-6) → α,α,α',α'-tetramethyl-1,4-benzenedimethanol (2948-46-1)

Guidance literature:

Reference yield:

p-diisopropylbenzene dihydroperoxide (3159-98-6) → α,α,α',α'-tetramethyl-1,4-benzenedimethanol (2948-46-1)

Guidance literature:

With methanol; sodium carbonate;

upstream raw materials:

1,4-benzenedicarboxylic acid dimethyl ester

methyl magnesium iodide

1,4-bis(1-methylethyl)benzene

1,4-Diacetylbenzene

Downstream raw materials:

1,4-diisopropenyl-benzene

1,4-phenylenebis(propane-2,2-diyl) bis(N-methyldithiocarbamate)

p-bis(tert-butylperoxyisopropyl)benzene

2,2'-(1,4-phenylenediisopropylidene)bis[4,6-xylenol]

Refernces

• 1、 Tsyskovskaya, I. V.,Potekhin, V. M.. "CATALYTIC DECOMPOSITION OF p-DIISOPROPYLBENZENE DIHYDROPEROXIDE". . p. 1262 - 1265. Retrieved 2007/10/02.