CAS 106-44-5 p-Cresol, High Purity - Materials / Alfa Chemistry

NAVIGATION

p-Cresol, High Purity

PRICE INQUIRY

Catalog Number

ACM106445

CAS Number

106-44-5

Product Name

p-Cresol, High Purity

Structure

Category

Liquid Crystal (LC) Building Blocks

Description

P-cresol is a colorless solid with a tar like odor. Sinks and mixes slowly with water. (USCG, 1999);Liquid; PelletsLargeCrystals;Solid;Solid;COLOURLESS CRYSTALS WITH CHARACTERISTIC ODOUR. TURNS DARK ON EXPOSURE TO AIR AND LIGHT.;Colourless to pink crystals, tarry-smoky medicinal odour;White crystals with a sweet, tarry odor.;Crystalline solid with a sweet, tarry odor. [Note: A liquid above 95°F.]

IUPAC Name

4-methylphenol

Molecular Weight

108.14g/mol

Molecular Formula

C7H8O;CH3C6H4OH;C7H8O

Canonical SMILES

CC1=CC=C(C=C1)O

InChI

InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3

InChI Key

IWDCLRJOBJJRNH-UHFFFAOYSA-N

Boiling Point

395.2 °F at 760 mm Hg (NTP, 1992);201.9 °C;201.9 °C;202 °C;376°F;396°F

Melting Point

94.6 °F (NTP, 1992);35.5 °C;Mp 36 °;34.77 °C;35.5°C;35 °C;95°F

Flash Point

187 °F (NTP, 1992);85 °C (185 °F) - closed cup;187 °F (86 °C) (Closed cup);86 °C c.c.;178°F, 175-185°F (open cup);187°F

Density

1.034 at 68 °F (USCG, 1999);d204 1.03;1.0185 at 40 °C/4 °C;1.02 g/cm³;1.03-1.05;1.04

Solubility

less than 1 mg/mL at 70° F (NTP, 1992);0.20 M;21.5 mg/mL at 25 °C;In water, 2.15X10+4 mg/L at 25 °C;2.5 g in 100 mL water at 50 °C; 5.0 g in 100 mL water at 100 °C. Soluble in aqueous alkali hydroxides. Souble in organic solvents.;Miscible with ethanol, ether, acetone, benzene and carbon tetrachloride;Soluble in vegetable oils, glycerin and dilute alkai;21.5 mg/mL at 25 °C;Solubility in water, g/100ml at 25 °C: 1.9 (moderate);slightly soluble in water;very soluble (in ethanol);2%

Application

P-Cresol, High Purity, serves as a versatile chemical with numerous industrial applications. Known for its derivation from toluene with a hydroxy group at position 4, p-Cresol plays a critical role in the production of artificial resins, liquid crystal intermediates, and various disinfectants and fumigants. Additionally, it is a foundational component in synthesizing Bupranolol, a non-selective beta-blocker, highlighting its significance in pharmaceutical manufacturing. Beyond its medical applications, p-Cresol is employed as an industrial solvent and in the creation of antioxidants like butylated hydroxytoluene. Its utility extends to functioning as an adhesive, sealant, and in producing dyes and intermediates, illustrating its adaptability in enhancing chemical processes and surface treatments. As a low-molecular-weight compound, p-Cresol is not only important industrially but also naturally occurs in plants such as Mentha pulegium, contributing to its presence in flavoring agents like pennyroyal oil.

Color/Form

Crystalline solid [Note: A liquid above 95 degees F]

Complexity

62.8

Covalently-Bonded Unit Count

EC Number

203-398-6

Exact Mass

108.057515g/mol

Formal Charge

Heat of Vaporization

47.45 kJ/mol at 201.98 °C

Heavy Atom Count

ICSC Number

0031

Log P

1.94 (LogP);1.94;log Kow = 1.94;1.94;1.94

MeSH Entry Terms

4-cresol;4-cresol, aluminum salt;4-cresol, potassium salt;4-cresol, sodium salt;4-methylphenol;p-cresol;para-cresol

Monoisotopic Mass

108.057515g/mol

NSC Number

756709;95259;3696

Odor

Phenolic odor;Sweet, tarry odor

Other Experimental

Percent in saturated air at 25 °C: 0.0142; density of saturated air at 25 °C: 1.00039 (Air= 1);Wt/gal = 8.67;Heat of fusion: 12.175 kJ/mol at the melting pt and 1 atm pressure;Henry's Law constant = 1X10-6 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 4.96X10-11 cu cm/molecule-sec at 21 °C

Refractive Index

Index of refraction = 1.5395 at 20 °C/D

Rotatable Bond Count

RTECS Number

GO6475000

Stability

Crystals or liquid darken with exposure to air and light.;Stable under recommended storage conditions.

UNII

1MXY2UM8NV

UN Number

2076;2076;3455;2076;2076

Vapor Density