2,2-Bis(4-hydroxyphenyl)butane CAS 77-40-7
2,2-Bis(4-hydroxyphenyl)butane Basic information
| Product Name: | 2,2-Bis(4-hydroxyphenyl)butane |
| Synonyms: | 1-phenylbutane-1,1-diol;4,4'-(1-methylpropylidene)bisphenol;BISPHENOL B;BISHYDROXYPHENYLBUTANE;2,2-BIS(P-HYDROXYPHENYL)BUTANE;2,2-BIS(4-HYDROXYPHENYL)BUTANE;P,P'-SEC-BUTYLIDENEDIPHENOL;p,p'-Dihydroxy-2,2-diphenylbutane |
| CAS: | 77-40-7 |
| MF: | C16H18O2 |
| MW: | 242.31 |
| EINECS: | 201-025-1 |
| Product Categories: | Bisphenol A type Compounds (for High-Performance Polymer Research);Functional Materials;Reagent for High-Performance Polymer Research |
| Mol File: | 77-40-7.mol |
2,2-Bis(4-hydroxyphenyl)butane Chemical Properties
| Melting point | 126°C |
| Boiling point | 345.14°C (rough estimate) |
| density | 1.0537 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 10.27±0.10(Predicted) |
| color | White to Off-White |
| InChI | InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3 |
| InChIKey | HTVITOHKHWFJKO-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C)CC |
| CAS DataBase Reference | 77-40-7(CAS DataBase Reference) |
Safety Information
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39 |
| WGK Germany | WGK 3 |
| RTECS | SM1210200 |
| HazardClass | IRRITANT |
| HS Code | 29242995 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 4 Eye Irrit. 2 |
| Hazardous Substances Data | 77-40-7(Hazardous Substances Data) |
| Physical properties | light brown powdery solid |
| Uses | In the manufacture of phenolic resins. |
| Preparation | Using phenol and 2-butanone as raw materials, and with sulfuric acid as the catalytic agent, under heating conditions, through condensation reaction, can obtain2,2-Bis(4-hydroxyphenyl)butane. |
| Application | 2,2-Bis(4-hydroxyphenyl)butane is mainly used in the production of phenolic resins, rubber additives, plastic additives; pesticide raw materials; dye raw materials. |
| Definition | ChEBI: Bisphenol B is a bisphenol. |
| Synthesis | 78-93-3 108-95-2 77-40-7 Gaseous hydrogen chloride was slowly passed into a mixture consisting of 2 moles of phenol and 1 mole of 2-butanone under stirring conditions, keeping the reaction temperature in the range of 15-20 °C. The addition process of hydrogen chloride was controlled to be completed within 3 hours. The color change of the reaction mixture was observed as an indication of the progress of the reaction. Subsequently, the reaction mixture was dissolved in chlorobenzene and washed with two portions of near boiling water to remove unreacted hydrogen chloride, after which the chlorobenzene layer was neutralized. Water, chlorobenzene and unreacted phenol were first removed by distillation at atmospheric pressure. Next, the system pressure was reduced and distillation was continued until no phenol was distilled. The yield of this reaction was quantitative. |
| References | [1] Patent: WO2008/117308, 2008, A2. Location in patent: Page/Page column 13, 25 [2] Justus Liebigs Annalen der Chemie, 1908, vol. 362, p. 208 |
2,2-Bis(4-hydroxyphenyl)butane Preparation Products And Raw materials
| Raw materials | 2-Butanone-->Phenol |
