1. chem960
  2. 80-05-7
4-2-(4-hydroxyphenyl)propan-2-ylphenol | 80-05-7

Product name:4-2-(4-hydroxyphenyl)propan-2-ylphenol

CAS No:80-05-7
MF:C15H16O2
MW:228.286344528198
MDL:MFCD00002366
CID:34195
PubChem ID:6623
Introduction
     Bisphenol A (bisphenol A) is a white needle crystal or flake powder with a slight phenol odor. It is an important derivative of phenol and acetone. It contains two phenol based functional groups and is formed by condensation of two molecules of phenol and one molecule of acetone. The catalyst for this reaction is an acidic catalyst. The catalysts used in industry include sulfuric acid \ hydrogen chloride and ion exchange resin
Names and Identifiers
  • 4,4'-(Propane-2,2-diyl)diphenol
  • 2,2-Bis (4-hydroxyphenol) propane
  • 2,2-Bis(4,4'-hydroxyphenyl)propane
  • 2,2-Bis(4-hydroxyphenyl)-propa
  • 2,2-Bis(hydroxyphenyl)propane
  • 2,2-bis(p-hydroxyphenyl)-propan
  • 2,2-bis-4’-hydroxyfenylpropan
  • 2,2-bis-4’-hydroxyfenylpropan(czech)
  • 2,2-Bis-4'-hydroxyfenylpropan
  • 4,4′-Isopropylidenediphenol
  • 2,2-Bis(4-hydroxyphenyl)propane
  • Bisphenol A
  • BPA
  • 4,4'-Isopropylidenediphenol
  • Bicifadino
  • Bicifadinum
  • 2,2-Bis-4-hydroxyphenylpropane
  • 4,4'-Dihydroxy-2,2-diphenylpropane
  • 2,2-Bis(4-hydroxyphenyl) propane
  • Diphenylolpropane
  • Bisphenol
  • Diano
  • 4,4'-Bisphenol A
  • Biphenol A
  • Parabis A
  • DIAN
  • Rikabanol
  • p,p'-Bisphenol A
  • p,p'-Isopropylidenebisphenol
  • Bisferol A
  • 2,2-Di(4-phenylol)propane
  • 2,2-Bis(p-hydroxyphenyl)propane
  • Phenol, 4,4'-(1-methylethylidene)bis-
  • Ipognox 88
  • Pluracol 245
  • 4,4'-Dihydroxydiphenylpropane
  • Dimethylmethylene-p,p'-diphenol
  • Bisphenol-A
  • p,p'-Isopropylidenediphenol
  • Ucar bisphenol A
  • Bis(4
  • 4,4′-(1-Methylethylidene)bis[phenol] (ACI)
  • Phenol, 4,4′-isopropylidenedi- (8CI)
  • (4,4′-Dihydroxydiphenyl)dimethylmethane
  • 2,2-Di(4-hydroxyphenyl)propane
  • 2,2′-Bis(4-hydroxyphenyl)propane
  • 4,4′-(Propane-2,2-diyl)diphenol
  • 4,4′-Isopropylidenebis[phenol]
  • 4,4′-Methylethylidenebisphenol
  • B 0494
  • Bis(4-hydroxyphenyl)dimethylmethane
  • Bis(p-hydroxyphenyl)propane
  • BPA 154
  • BPA 157
  • BPA-M
  • Dian
  • HG 3876
  • Hidorin F 285
  • Hidorin F 568
  • HT 3082
  • Isopropylidenebis(4-hydroxybenzene)
  • NSC 1767
  • NSC 17959
  • Nupole BPE-60
  • p,p′-Bisphenol A
  • p,p′-Dihydroxydiphenylpropane
  • p,p′-Isopropylidenebisphenol
  • p,p′-Isopropylidenediphenol
  • Parabis
  • β,β′-Bis(p-hydroxyphenyl)propane
  • 4-2-(4-hydroxyphenyl)propan-2-ylphenol
  • MDL:MFCD00002366
  • InChIKey:IISBACLAFKSPIT-UHFFFAOYSA-N
  • Inchi:1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
  • SMILES:OC1C=CC(C(C)(C)C2C=CC(O)=CC=2)=CC=1
  • BRN:1107700
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 228.11500
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Rotatable Bond Count: 2
  • Monoisotopic Mass: 228.115
  • Heavy Atom Count: 17
  • Complexity: 209
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 3.3
  • Tautomer Count: 3
  • Surface Charge: 0
  • Topological Polar Surface Area: 40.5

Experimental Properties

  • LogP: 3.42370
  • PSA: 40.46000
  • Merck: 1297
  • Refractive Index: 1.5542 (estimate)
  • Water Partition Coefficient: <0.1 g/100 mL at 21.5 ºC
  • Boiling Point: 220 °C/4 mmHg(lit.)
  • Melting Point: 158-159 °C (lit.)
  • Flash Point: Fahrenheit: 440.6 ° f
    Celsius: 227 ° c
  • Solubility: 0.12g/l insoluble
  • Color/Form: White needle crystal or flake powder
  • Solubility: Soluble in methanol, ethanol, isopropanol, butanol, acetic acid, acetone, diethyl ether, but poorly soluble in water
  • Sensitiveness: Sensitive to humidity
  • Density: 1.195
Security Information
  • Symbol: GHS05 GHS07 GHS08
  • RTECS:SL6300000
  • WGK Germany:2
  • Safety Instruction:S26-S36/37/39-S45-S46-S39-S36/37
  • Risk Phrases:R37; R41; R43; R62
  • ป้ายอันตราย: Xn Xn
  • Hazardous Material transportation number:UN 3077 9 / PGIII
  • Hazard Statement:H317,H318,H361
  • Warning Statement:P280,P305+P351+P338
  • Prompt:dangerous
  • Storage Condition:room temp
  • Hazard Category Code:37-41-43-52-62
  • Signal Word:Danger
  • TSCA:Yes
  • Toxicity:LC50 (96 hr) in fathead minnow, rainbow trout: 4600, 3000-3500 mg/l (Staples)
Customs Data
  • HS CODE:29072300
  • Customs Data:

    China Customs Code:

    2907230001

    Overview:

    2907230001 BisphenolA[4,4-Isopropylidene biphenol]. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing Minimum tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2907230001 4,4'-(propane-2,2-diyl)diphenol VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none Lowest tariff:5.5% General tariff:30.0%

Synthetic Circuit

Synthetic Circuit 1

Reaction Conditions
1.1 Catalysts: Benzenesulfonic acid ,  Divinylbenzene-styrene copolymer (phenoxymethyl and benzyl derivatives)
Reference
Preparation of bisphenol A by the condensation of phenol and acetone in the presence of acid catalyst and additives
, European Patent Organization, , ,

Synthetic Circuit 2

Reaction Conditions
1.1 Catalysts: Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-, zinc salt (2:1) Solvents: Toluene ;  2 h, 100 °C
Reference
Selective, Sequential, and "One-Pot" Depolymerization Strategies for Chemical Recycling of Commercial Plastics and Mixed Plastics
Yang, Rulin; Xu, Guangqiang; Dong, Bingzhe; Guo, Xuanhua; Wang, Qinggang, ACS Sustainable Chemistry & Engineering, 2022, 10(30), 9860-9871

Synthetic Circuit 3

Reaction Conditions
1.1 Reagents: Methanol Catalysts: 1,5,7-Triazabicyclo[4.4.0]dec-5-ene Solvents: Dichloromethane ;  2.5 h, 75 °C
Reference
Versatile Imidazole-Anion-Derived Ionic Liquids with Unparalleled Activity for Alcoholysis of Polyester Wastes under Mild and Green Conditions
Liu, Mengshuai; Guo, Jiao; Gu, Yongqiang; Gao, Jun ; Liu, Fusheng, ACS Sustainable Chemistry & Engineering, 2018, 6(11), 15127-15134

Synthetic Circuit 4

Reaction Conditions
1.1 Reagents: Methanol Catalysts: Iron chloride (FeCl3) ,  1-Butyl-3-methylimidazolium chloride ;  rt → 120 °C; 3 h, 120 °C
Reference
Efficient Alcoholysis of Polycarbonate Catalyzed by Recyclable Lewis Acidic Ionic Liquids
Guo, Jiao; Liu, Mengshuai; Gu, Yongqiang; Wang, Yuchen; Gao, Jun ; et al, Industrial & Engineering Chemistry Research, 2018, 57(32), 10915-10921

Synthetic Circuit 5

Reaction Conditions
1.1 Solvents: 1-Methoxy-2-propanol ;  rt → 70 °C
1.2 Catalysts: Boron trifluoride etherate ;  3 h, 70 °C; 70 °C; 70 °C → 95 °C; 9 h, 95 °C; 95 °C → 60 °C
Reference
Preliminary Results on Preparation and Performance of a Self-Emulsifying Waterborne Epoxy Curing Agent at Room Temperature
Pi, Zhenzhen; Deng, Changyu; Pan, Hongmei; Pei, Kemei, Polymers (Basel, 2023, 15(7),

Synthetic Circuit 6

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Toluene ,  Tetrahydrofuran ;  48 h, 160 °C
Reference
Base-Mediated Depolymerization of Amine-Cured Epoxy Resins
DiPucchio, Rebecca C.; Stevenson, Katherine R.; Lahive, Ciaran W.; Michener, William E.; Beckham, Gregg T., ACS Sustainable Chemistry & Engineering, 2023, 11(48), 16946-16954

Synthetic Circuit 7

Reaction Conditions
1.1 Catalysts: 1,5,7-Triazabicyclo[4.4.0]dec-5-ene Solvents: 2-Methyltetrahydrofuran ;  12 h, rt
Reference
Chemical recycling of poly(bisphenol A carbonate): 1,5,7-Triazabicyclo[4.4.0]-dec-5-ene catalyzed alcoholysis for highly efficient bisphenol A and organic carbonate recovery
Do, Taeyang; Baral, Ek Raj; Kim, Jeung Gon, Polymer, 2018, 143, 106-114

Synthetic Circuit 8

Reaction Conditions
1.1 4 h, 120 °C
Reference
Preparation of high-strength, water-resistant starch adhesive and its bonding mechanism to cotton stalk
Li, Kui; Zuo, Yingfeng; Zheng, Long; Wang, Huifen; Wu, Yiqiang, Industrial Crops and Products, 2023, 194,

Synthetic Circuit 9

Reaction Conditions
Reference
Preparation of Epoxy Resin Emulsifiers with Different Structures and a Comparative Study of their Properties
Zhang, Yancheng; Huang, He, ChemistrySelect, 2022, 7(34),

Synthetic Circuit 10

Reaction Conditions
1.1 Solvents: Water ;  30 min, 280 °C
Reference
Decomposition behavior and decomposition products of epoxy resin cured with MeHHPA in near-critical water
Gong, Xianyun; et al, Journal of Wuhan University of Technology, 2013, 28(4), 781-786

Synthetic Circuit 11

Reaction Conditions
1.1 Reagents: Potassium hydroxide ;  2 h, 160 °C
Reference
Catalytic, aerobic depolymerization of epoxy thermoset composites
Navarro, Carlos A.; Ma, Yijia; Michael, Katelyn H.; Breunig, Hanna M.; Nutt, Steven R.; et al, Green Chemistry, 2021, 23(17), 6356-6360

Synthetic Circuit 12

Reaction Conditions
1.1 Reagents: Triethylamine ,  Hydrogen Catalysts: Chitosan Solvents: Methanol ,  Water ;  116 h, 30 bar, 120 °C
Reference
A Biomass-Derived Non-Noble Cobalt Catalyst for Selective Hydrodehalogenation of Alkyl and (Hetero)Aryl Halides
Sahoo, Basudev; Surkus, Annette-Enrica; Pohl, Marga-Martina; Radnik, Joerg; Schneider, Matthias; et al, Angewandte Chemie, 2017, 56(37), 11242-11247

Synthetic Circuit 13

Reaction Conditions
1.1 Catalysts: 1-Propanethiol ,  Ethanesulfonic acid ;  24 h, 100 °C
Reference
Enhanced cooperative, catalytic behavior of organic functional groups by immobilization
Zeidan, Ryan K.; et al, Journal of Catalysis, 2006, 239(2), 299-306

Synthetic Circuit 14

Reaction Conditions
1.1 Catalysts: Silica ;  70 - 120 °C; 3 - 9 h, 70 - 120 °C
Reference
Synthesis of bisphenol A catalyzed by H2SO4-SiO2 solid acid
Hou, Lijie; et al, Gongye Cuihua, 2008, 16(12), 68-71

Synthetic Circuit 15

Reaction Conditions
1.1 Catalysts: Amberlyst 15
Reference
Preparation of bisphenol-A zeolite catalysts
Singh, A. P., Catalysis Letters, 1992, 16(4), 431-5

Synthetic Circuit 16

Reaction Conditions
1.1 Catalysts: Iron oxide (Fe3O4) ,  Silica ,  Ammonia Solvents: Diethylene glycol ,  Water ;  rt → 160 °C; 78 min, 160 °C
Reference
Magnetic Fe3O4/SiO2/NH2 As the Recyclable Heterogeneous Nanocatalyst on Bisphenol-A Recovery from Polycarbonate Wastes
Emami, S.; Alavi Nikje, M. M., Russian Journal of Applied Chemistry, 2018, 91(1), 159-166

Synthetic Circuit 17

Reaction Conditions
1.1 Catalysts: Tetramethylammonium chloride ,  Zinc oxide (ZnO) Solvents: Water ;  7 h, 100 °C
Reference
Degradation of waste polycarbonate via hydrolytic strategy to recover monomer (bisphenol A) catalyzed by DBU-based ionic liquids under metal- and solvent-free conditions
Liu, Mengshuai; Guo, Jiao; Gu, Yongqiang; Gao, Jun; Liu, Fusheng, Polymer Degradation and Stability, 2018, 157, 9-14

Synthetic Circuit 18

Reaction Conditions
1.1 Catalysts: 1-Butyl-3-methylimidazolium chloride Solvents: Water ;  rt → 165 °C; 3 h, 165 °C
Reference
Hydrolysis of polycarbonate using ionic liquid [Bmim][Cl] as solvent and catalyst
Li, Lei; Liu, Fusheng; Li, Zhuo; Song, Xiuyan; Yu, Shitao; et al, Fibers and Polymers, 2013, 14(3), 365-368
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EN300-19430-10.0g 97% In Stock 10.0g $27.0/ ¥196.11 09 Jul. 2023
EN300-19430-5.0g 97% In Stock 5.0g $26.0/ ¥188.84 09 Jul. 2023
EN300-19430-2.5g 97% In Stock 2.5g $25.0/ ¥181.58 17 Sep. 2023
EN300-19430-1.0g 97% In Stock 1.0g $24.0/ ¥174.32 09 Jul. 2023
EN300-19430-0.5g 97% In Stock 0.5g $19.0/ ¥138.00 17 Sep. 2023
EN300-19430-0.25g 97% In Stock 0.25g $19.0/ ¥138.00 17 Sep. 2023
EN300-19430-0.1g 97% In Stock 0.1g $19.0/ ¥138.00 17 Sep. 2023
EN300-19430-0.05g 97% In Stock 0.05g $19.0/ ¥138.00 17 Sep. 2023
Brand:TCI Supplier:梯希爱(上海)化成工业发展有限公司
No. Purity Stock Specification Price update time operate
B0494-100g >99.0%(GC) 上海:1/天津:/日本:请联系我们 100g ¥180.00 08 Sep. 2023
B0494-500G >99.0%(GC) 上海:36/天津:30/日本:≥40 500g ¥220.00 08 Sep. 2023
B0494-25G >99.0%(GC) 上海:33/天津:≥40/日本:≥40 25g ¥120.00 08 Sep. 2023
Brand:scbt Supplier:圣克鲁斯生物技术
No. Purity Stock Specification Price update time operate
sc-391751A-10g 10g ¥3685.00 05 Sep. 2023
sc-391751-100mg 100mg ¥2256.00 05 Sep. 2023
sc-391751A-10 g 10g ¥3,685.00 11 Jul. 2023
sc-391751-100 mg 100MG ¥2,256.00 11 Jul. 2023
Brand:lifechemical Supplier:Life Chemicals
No. Purity Stock Specification Price update time operate
F1284-0895-30mg 90%+ World stock: 38.00mg 30mg $119.0/ ¥864.32 28 Jul. 2023
F1284-0895-25mg 90%+ World stock: 38.00mg 25mg $109.0/ ¥791.69 28 Jul. 2023
F1284-0895-20mg 90%+ World stock: 38.00mg 20mg $99.0/ ¥719.06 28 Jul. 2023
F1284-0895-15mg 90%+ World stock: 38.00mg 15mg $89.0/ ¥646.42 28 Jul. 2023
F1284-0895-10mg 90%+ World stock: 38.00mg 10mg $79.0/ ¥573.79 28 Jul. 2023
F1284-0895-5mg 90%+ World stock: 38.00mg 5mg $69.0/ ¥501.16 28 Jul. 2023
F1284-0895-4mg 90%+ World stock: 38.00mg 4mg $66.0/ ¥479.37 28 Jul. 2023
F1284-0895-3mg 90%+ World stock: 38.00mg 3mg $63.0/ ¥457.58 28 Jul. 2023
F1284-0895-2mg 90%+ World stock: 38.00mg 2mg $59.0/ ¥428.53 28 Jul. 2023
F1284-0895-1mg 90%+ World stock: 38.00mg 1mg $54.0/ ¥392.21 28 Jul. 2023
F1284-0895-20μmol 90%+ World stock: 38.00mg 20μmol $79.0/ ¥573.79 28 Jul. 2023
F1284-0895-10μmol 90%+ World stock: 38.00mg 10μmol $69.0/ ¥501.16 28 Jul. 2023
F1284-0895-5μmol 90%+ World stock: 38.00mg 5μmol $63.0/ ¥457.58 28 Jul. 2023
F1284-0895-2μmol 90%+ World stock: 38.00mg 2μmol $57.0/ ¥414.00 28 Jul. 2023
Brand:乐研 Supplier:上海皓鸿生物医药科技有限公司
No. Purity Stock Specification Price update time operate
1043914-1kg 98% 上海:> 10/安徽:2/武汉:4/成都:> 10/天津:/深圳: 1kg ¥174 13 Apr. 2023
1043914-500g 98% 上海:5/安徽:> 10/武汉:> 10/成都:2/天津:/深圳: 500g ¥70 13 Apr. 2023
Brand:麦克林 Supplier:上海麦克林生化科技有限公司
No. Purity Stock Specification Price update time operate
B802575-25kg >99.0%(GC) 上海仓库:现货/北方仓库:-/南方仓库:- 25kg ¥1,900.00 29 Sep. 2022
B802575-5kg >99.0%(GC) 上海仓库:现货/北方仓库:-/南方仓库:- 5kg ¥679.00 29 Sep. 2022
B802575-500g >99.0%(GC) 上海仓库:现货/北方仓库:现货/南方仓库:现货 500g ¥118.00 29 Sep. 2022
B802575-100g >99.0%(GC) 上海仓库:现货/北方仓库:现货/南方仓库:现货 100g ¥48.00 29 Sep. 2022
B802575-25g >99.0%(GC) 上海仓库:现货/北方仓库:现货/南方仓库:现货 25g ¥28.00 29 Sep. 2022
Brand:CityChemical Supplier:City Chemical
No. Purity Stock Specification Price update time operate
B1865-2KG 98% 2kg $65.45/ ¥475.38 19 Sep. 2023
B1865-1KG 98% 1kg $41.29/ ¥299.90 19 Sep. 2023
1421P-25KG 97% 25kg $384.03/ ¥2,789.29 19 Sep. 2023
1421P-2KG 97% 2kg $65.45/ ¥475.38 19 Sep. 2023
1421P-1KG 97% 1kg $47.84/ ¥347.47 19 Sep. 2023
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