Cas no 885-77-8 (4,4'-Dimethylbenzhydrol)

4,4'-Dimethylbenzhydrol is a versatile organic compound known for its stability and purity. Its symmetrical structure enhances its performance in various applications, including synthesis of pharmaceuticals and fine chemicals. Its high purity ensures reliable results in chemical reactions, making it a preferred choice in research and industrial settings.
4,4'-Dimethylbenzhydrol structure
4,4'-Dimethylbenzhydrol structure
Product Name:4,4'-Dimethylbenzhydrol
CAS No:885-77-8
MF:C15H16O
MW:212.286944389343
MDL:MFCD00017216
CID:83179
PubChem ID:354335389
Update Time:2025-06-20

4,4'-Dimethylbenzhydrol Chemical and Physical Properties

Names and Identifiers

    • 4,4'-Dimethylbenzhydrol
    • Bis(p-tolyl) carbinol~4,4-Dimethyldiphenylmethanol
    • bis(4-methylphenyl)methanol
    • 4,4'-Dimethyldiphenylmethanol
    • Di-p-tolylmethanol
    • Di-p-tolylcarbinol
    • NSC 129834
    • XA 100
    • RGYZQSCFKFDECZ-UHFFFAOYSA-N
    • Benzenemethanol, 4-methyl-.alpha.-(4-methylphenyl)-
    • Benzhydrol, 4,4'-dimethyl-
    • dip-tolylmethanol
    • Di(p-tolyl)methanol
    • NSC129834
    • Bis(p-tolyl) carbinol
    • 4,4'-ditolyl carbinol
    • Di-(4-tolyl)-methanol
    • Benzhydrol,4'-dimethyl-
    • 4,4'-dimethyl benzhydrol
    • 4,4'- dimethylbenzhydrol
    • bis(4-methylphenyl)carbinol
    • [bis(4-methylphenyl)]methanol
    • Bis(4-methylphenyl)metha
    • 4-Methyl-α-(4-methylphenyl)benzenemethanol (ACI)
    • Benzhydrol, 4,4′-dimethyl- (6CI, 7CI, 8CI)
    • 4,4′-Dimethylbenzhydrol
    • Bis(4-tolyl)methanol
    • 4,4-dimethylbenzhydrol
    • 4,4''-Dimethylbenzhydrol
    • DB-057084
    • MFCD00017216
    • D5460
    • NSC-129834
    • BS-23189
    • Bis(4-methylphenyl)methanol #
    • diphenylcarbinol, 4,4'-dimethyl-
    • DTXSID60299377
    • SCHEMBL96180
    • D90395
    • AC-13530
    • Benzenemethanol, 4-methyl-alpha-(4-methylphenyl)-
    • 885-77-8
    • AKOS003584069
    • CS-0206282
    • DTXCID10250514
    • MDL: MFCD00017216
    • Inchi: 1S/C15H16O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3
    • InChI Key: RGYZQSCFKFDECZ-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(C)=CC=1)C1C=CC(C)=CC=1
    • BRN: 1874128

Computed Properties

  • Exact Mass: 212.12000
  • Monoisotopic Mass: 212.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 176
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 20.2
  • Surface Charge: 0
  • Tautomer Count: nothing

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.063±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 69.0 to 73.0 deg-C
  • Boiling Point: 352.7°C at 760 mmHg
  • Flash Point: 149.2°C
  • Refractive Index: 1.583
  • Solubility: Very slightly soluble (0.3 g/l) (25 o C),
  • Water Partition Coefficient: Insoluble in water.
  • PSA: 20.23000
  • LogP: 3.38510
  • λmax: 472(H2SO4 aq.)(lit.)
  • Solubility: Not determined

4,4'-Dimethylbenzhydrol Security Information

4,4'-Dimethylbenzhydrol Customs Data

  • HS CODE:2902909090
  • Customs Data:

    China Customs Code:

    2902909090

    Overview:

    2902909090. Other aromatic hydrocarbons. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:2.0%. general tariff:30.0%

    Declaration elements:

    Product Name, component content

    Summary:

    2902909090 other aromatic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

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4,4'-Dimethylbenzhydrol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Ethanol ;  2 h, reflux
Reference
Preparation of Thietane Derivatives through Domino Photochemical Norrish-Type-II/thia-Paterno-Buchi Reactions
Lapuh, Maria I.; Cormier, Gabriel; Chergui, Slimane; Aitken, David J. ; Boddaert, Thomas, Organic Letters, 2022, 24(45), 8375-8380

Production Method 2

Reaction Conditions
1.1 Reagents: Silica (chlorinated silica) ,  Lithium aluminum hydride Solvents: Diethyl ether ;  30 min, rt
Reference
LiAlH4/silica chloride as a new chemoselective system for reduction of carbonyl compounds and phosphine oxides
Khalilzadeh, M. A.; Hosseini, A.; Tajbakhsh, M.; Mohannazadeh, F., Journal of the Iranian Chemical Society, 2008, 5(4), 699-705

Production Method 3

Reaction Conditions
1.1 Reagents: Methylphenylsilane Catalysts: 2640871-89-0 Solvents: Toluene ;  18 h, 60 °C
1.2 Reagents: Tetrabutylammonium fluoride Solvents: Dichloromethane ,  Tetrahydrofuran
Reference
Homoleptic Cobalt(II) Phenoxyimine Complexes for Hydrosilylation of Aldehydes and Ketones without Base Activation of Cobalt(II)
Matsubara, Kouki ; Mitsuyama, Tomoaki; Shin, Sayaka; Hori, Momoko; Ishikawa, Ryuta ; et al, Organometallics, 2021, 40(9), 1379-1387

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium hydroxide Catalysts: Di-μ-chlorobis[(1,2,5,6-η)-1,5-cyclooctadiene]dirhodium ,  [1,1′-Biphenyl]-3-sulfonic acid, 2′-(dicyclohexylphosphino)-2,6-dimethoxy-, sodi… Solvents: Water ;  2 h, 80 °C
Reference
The rhodium-catalyzed 1,2-addition of arylboronic acids to aldehydes and ketones with sulfonated S-Phos
White, James R.; Price, Gareth J.; Plucinski, Pawel K.; Frost, Christopher G., Tetrahedron Letters, 2009, 50(52), 7365-7368

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Methanol ;  rt
Reference
Methyl 2-methoxycarbonyl-3-phenylpropionate derivatives: a new type of angiotensin converting enzyme inhibitors
Cai, Xiao-Hua; Xie, Bing; Guo, Hui, Letters in Organic Chemistry, 2006, 3(6), 492-494

Production Method 6

Reaction Conditions
1.1 Reagents: Tetramethyldisilazane Catalysts: 2502157-81-3 Solvents: Benzene ;  rt; 20 h, rt
1.2 Reagents: Diethyl ether ;  rt
Reference
Trivalent Rare-Earth Metal Amide Complexes as Catalysts for the Hydrosilylation of Benzophenone Derivatives with HN(SiHMe2)2 by Amine-Exchange Reaction
Shinohara, Koichi; Tsurugi, Hayato ; Anwander, Reiner; Mashima, Kazushi, Chemistry - A European Journal, 2020, 26(62), 14130-14136

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium hydroxide Catalysts: 2138478-93-8 Solvents: Isopropanol ;  10 min, 40 °C
1.2 40 °C → 80 °C; 2 h, 80 °C
Reference
Aryl appended neutral and cationic half-sandwich ruthenium(II)-NHC complexes: synthesis, characterisation and catalytic applications
Viji, Mambattakkara; Tyagi, Nidhi; Naithani, Neeraj; Ramaiah, Danaboyina, New Journal of Chemistry, 2017, 41(21), 12736-12745

Production Method 8

Reaction Conditions
1.1 Reagents: Poly(methylhydrosiloxane) Catalysts: Borate(1-), tetraethoxy-, sodium (1:1) ,  (OC-6-21)-Bis[1,1′-(1,2-ethanediyl)bis[1,1-diphenylphosphine-κP]]dihydroiron Solvents: Toluene ;  1 h, 100 °C; 100 °C → rt
1.2 Reagents: Sodium hydroxide Solvents: Methanol ,  Water ;  16 h, rt
Reference
Iron Dihydride Complex as the Pre-catalyst for Efficient Hydrosilylation of Aldehydes and Ketones Under Visible Light Activation
Castro, Luis C. Misal; Bezier, David; Sortais, Jean-Baptiste; Darcel, Christophe, Advanced Synthesis & Catalysis, 2011, 353(8), 1279-1284

Production Method 9

Reaction Conditions
1.1 Reagents: Tripotassium phosphate Catalysts: Bis[2-[[bis[2,4-bis(1,1-dimethylethyl)phenoxy]phosphino-κP]oxy]-3,5-bis(1,1-dime… Solvents: Toluene ;  2 h, 90 - 100 °C
Reference
Aryl Ketone Synthesis via Tandem Orthoplatinated Triarylphosphite-Catalyzed Addition Reactions of Arylboronic Acids with Aldehydes Followed by Oxidation
Liao, Yuan-Xi; Hu, Qiao-Sheng, Journal of Organic Chemistry, 2010, 75(20), 6986-6989

Production Method 10

Reaction Conditions
1.1 Reagents: Pinacolborane Catalysts: Sodium hydride Solvents: Tetrahydrofuran ;  25 - 27 °C; 30 min, 25 - 27 °C
1.2 Reagents: Water
1.3 Reagents: Sodium hydroxide Solvents: Water ;  1 h, 25 - 27 °C
Reference
Catalytic hydroboration of aldehydes and ketones with sodium hydride: Application to chemoselective reduction of aldehydes over ketones
Shin, Won Kyu; Kim, Hanbi; Jaladi, Ashok Kumar; An, Duk Keun, Tetrahedron, 2018, 74(43), 6310-6315

Production Method 11

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Borate(1-), tetrakis[3,5-bis(trifluoromethyl)phenyl]-, hydrogen, compd. with 1,1… ,  (SP-4-1)-[2-(Dicyclohexylphosphino-κP)-N-[2-(dicyclohexylphosphino-κP)ethyl]etha… Solvents: Tetrahydrofuran ;  45 h, 1 atm, 60 °C
Reference
Mild and homogeneous cobalt-catalyzed hydrogenation of C:C, C:O, and C:N bonds
Zhang, Guoqi; Scott, Brian L.; Hanson, Susan K., Angewandte Chemie, 2012, 51(48), 12102-12106

Production Method 12

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Methanol ,  Acetonitrile ;  2 h, rt
Reference
Vanadium-catalyzed atmospheric oxidation of benzyl alcohols using water as solvent
Kodama, Shintaro; Hashidate, Suguru; Nomoto, Akihiro; Yano, Shigenobu; Ueshima, Michio; et al, Chemistry Letters, 2011, 40(5), 495-497

Production Method 13

Reaction Conditions
1.1 Reagents: Sodium borohydride
Reference
Structure-activity studies on benzhydrol-containing nipecotic acid and guvacine derivatives as potent, orally-active inhibitors of GABA uptake
Pavia, Michael R.; Lobbestael, Sandra J.; Nugiel, David; Mayhugh, Daniel R.; Gregor, Vlad E.; et al, Journal of Medicinal Chemistry, 1992, 35(22), 4238-48

Production Method 14

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Diethyl ether
Reference
Ethylene dications substituted with electron-donating groups
Ohwada, Tomohiko; Shudo, Koichi, Journal of Organic Chemistry, 1989, 54(22), 5227-37

Production Method 15

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  20 min, -78 °C
1.2 Solvents: Tetrahydrofuran ;  20 min, -78 °C
1.3 Reagents: Water
Reference
N-Heterocyclic Carbene-Catalyzed Cross-Coupling of Aromatic Aldehydes with Activated Alkyl Halides
Padmanaban, Mohan; Biju, Akkattu T.; Glorius, Frank, Organic Letters, 2011, 13(1), 98-101

Production Method 16

Reaction Conditions
1.1 Reagents: Isopropanol ,  Potassium tert-butoxide ;  48 h, 30 °C
1.2 Reagents: Water
Reference
Light-induced reduction of aryl ketones and aldehydes via Meerwein-Ponndorf-Verley-type reaction with isopropanol under mild reaction conditions
Zhu, Yiwei; Wu, Zhimin; Guo, Hengchang, Sustainable Chemistry and Pharmacy, 2023, 36,

Production Method 17

Reaction Conditions
1.1 Catalysts: Di-μ-chlorobis[(1,2,5,6-η)-1,5-cyclooctadiene]diiridium ,  Tris(2,4-di-tert-butylphenyl) phosphite Solvents: 1,4-Dioxane ;  30 min, 110 °C; 110 °C → rt
1.2 Reagents: Potassium carbonate Solvents: 1,4-Dioxane ;  6 - 10 h, 60 °C
1.3 Reagents: Water
Reference
[Ir(COD)Cl]2/tris(2,4-di-t-butylphenyl)phosphite-catalyzed addition reactions of arylboronic acids with aldehydes
Liao, Yuan-Xi; Dong, Jie; Hu, Qiao-Sheng, Tetrahedron Letters, 2018, 59(16), 1548-1550

4,4'-Dimethylbenzhydrol Raw materials

4,4'-Dimethylbenzhydrol Preparation Products

4,4'-Dimethylbenzhydrol Suppliers

Amadis Chemical Company Limited
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(CAS:885-77-8)4,4'-Dimethylbenzhydrol
Order Number:A842713
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:57
Price ($):487.0
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Amadis Chemical Company Limited
(CAS:885-77-8)4,4'-Dimethylbenzhydrol
A842713
Purity:99%
Quantity:25g
Price ($):487.0
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