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

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Liquid Crystal (LC) Building Blocks

p-Cresol, High Purity

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Catalog Number

ACM106445

Product Name

p-Cresol, High Purity

Structure

CAS

106-44-5

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%

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