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
        双酚A(Bisphenol A)白色针晶或片状粉末。微带苯酚气味。是苯酚和丙酮的重要衍生物,含有两个酚基官能团,由两分子苯酚和一分子丙酮缩合而成,该反应的催化剂为酸性催化剂,工业上应用的催化剂有硫酸、氯化氢和离子交换树脂。
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

  • 精确分子量: 228.11500
  • 氢键供体数量: 2
  • 氢键受体数量: 2
  • 可旋转化学键数量: 2
  • 同位素质量: 228.115
  • 重原子数量: 17
  • 复杂度: 209
  • 同位素原子数量: 0
  • 确定原子立构中心数量: 0
  • 不确定原子立构中心数量: 0
  • 确定化学键立构中心数量: 0
  • 不确定化学键立构中心数量: 0
  • 共价键单元数量: 1
  • 疏水参数计算参考值(XlogP): 3.3
  • 互变异构体数量: 3
  • 表面电荷: 0
  • 拓扑分子极性表面积: 40.5

Experimental Properties

  • LogP: 3.42370
  • PSA: 40.46000
  • Merck: 1297
  • 折射率: 1.5542 (estimate)
  • 水溶性: <0.1 g/100 mL at 21.5 ºC
  • 沸点: 220 °C/4 mmHg(lit.)
  • 熔点: 158-159 °C (lit.)
  • 闪点: 华氏:440.6 °F
    摄氏:227 °C
  • 溶解度: 0.12g/l insoluble
  • 颜色与性状: 白色针晶或片状粉末
  • 溶解性: 溶于甲醇、乙醇、异丙醇、丁醇、乙酸、丙酮、二乙醚,难溶于水
  • 敏感性: 对湿度敏感
  • 密度: 1.195
Security Information
  • Symbol: GHS05 GHS07 GHS08
  • RTECS号:SL6300000
  • WGK Germany:2
  • 安全说明:S26-S36/37/39-S45-S46-S39-S36/37
  • 风险术语:R37; R41; R43; R62
  • 危險品標誌: Xn Xn
  • 危险品运输编号:UN 3077 9 / PGIII
  • 危害声明:H317,H318,H361
  • 警示性声明:P280,P305+P351+P338
  • 提示语:危险
  • 储存条件:room temp
  • 危险类别码:37-41-43-52-62
  • 信号词:Danger
  • TSCA:Yes
  • 毒性:LC50 (96 hr) in fathead minnow, rainbow trout: 4600, 3000-3500 mg/l (Staples)
Customs Data
  • 海关编码:29072300
  • 海关数据:

    中国海关编码:

    2907230001

    概述:

    2907230001 双酚A〔4,4-异亚丙基联苯酚〕. 增值税率:17.0% 退税率:9.0% 监管条件:无 最低关税:5.5% 普通关税:30.0%

    申报要素:

    品名, 成分含量, 用途

    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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No. Purity Stock Specification Price update time operate
EN300-19430-100g 97% In Stock 100g $61.0/ ¥443.06 17 Sep. 2023
EN300-19430-50g 97% In Stock 50g $45.0/ ¥326.84 17 Sep. 2023
EN300-19430-25g 97% In Stock 25g $35.0/ ¥254.21 17 Sep. 2023
EN300-19430-10g 97% In Stock 10g $27.0/ ¥196.11 17 Sep. 2023
EN300-19430-5g 97% In Stock 5g $26.0/ ¥188.84 17 Sep. 2023
EN300-19430-1g 97% In Stock 1g $24.0/ ¥174.32 17 Sep. 2023
EN300-19430-100.0g 97% In Stock 100.0g $61.0/ ¥443.06 09 Jul. 2023
EN300-19430-50.0g 97% In Stock 50.0g $45.0/ ¥326.84 09 Jul. 2023
EN300-19430-25.0g 97% In Stock 25.0g $35.0/ ¥254.21 09 Jul. 2023
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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