ChemicalBook Product Catalog Organic Chemistry Alcohols,Phenols,Phenol alcohols Phenol derivatives 2,2-Bis(4-hydroxyphenyl)butane

2,2-Bis(4-hydroxyphenyl)butane

Product Name2,2-Bis(4-hydroxyphenyl)butane
CAS77-40-7
MFC16H18O2
MW242.31
EINECS201-025-1
MOL File77-40-7.mol

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
Henry's Law Constant	8.2×10⁵ mol/(m³Pa) at 25℃, HSDB (2015)
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)

MSDS

Provider	Language
4,4'-(1-Methylpropylidene)bisphenol	English

Usage And Synthesis

Physical properties

light brown powdery solid

Uses

In the manufacture of phenolic resins.

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.

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.

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

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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