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2,2-Bis(4-Hydroxy-3-Methylphenyl)Propane

Catalog Number
ACM79970-1
CAS Number
79-97-0
Product Name
2,2-Bis(4-Hydroxy-3-Methylphenyl)Propane
Category
Pressure & Heat Sensitive Recording Materials; Heat & Pressure Sensitive Dyes; Monomers; Polymers
Synonyms
4-[2-(4-Hydroxy-3-Methylphenyl)Propan-2-Yl]-2-Methylphenol
IUPAC Name
4-[2-(4-Hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
Molecular Weight
256.34
Molecular Formula
C17H20O2
Canonical SMILES
CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)O
InChI
InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3
InChI Key
YMTYZTXUZLQUSF-UHFFFAOYSA-N
Boiling Point
238-240 °C (lit.) at 12 mmHg
Melting Point
138-140 °C
Purity
95%
Density
1.0421 g/cm3
Appearance
Powder or crystalline or crystalline powder or chunks
Application
2,2-Bis(4-Hydroxy-3-Methylphenyl)Propane serves as a crucial component in the development of thermosensitive recording materials, acting specifically as a color-developer. This compound is a type of bisphenol and functions as a monomer for the production of polycarbonate and bisphenol A. In various applications, it is used in reaction solutions with sodium salt and calcium stearate, and it can interact with fatty acids to yield aromatic hydrocarbons. During these reactions, it yields hydrogen chloride and hydrochloric acid as byproducts.
Complexity
272
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
201-240-0
Exact Mass
256.146329876
Formal Charge
0
Heavy Atom Count
19
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
MeSH Entry Terms
4-(2,2-dichloro-1-(4-hydroxyphenyl)ethenyl)phenol;bisphenol C
Monoisotopic Mass
256.146329876
NSC Number
408489
Rotatable Bond Count
2
Topological Polar Surface Area
40.5 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
98817I7XJ2
XLogP3
4.7
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