Thymol CAS NO.89-83-8

1. Introduction ofThymol

The Thymol, with its CAS NO89-83-8, is a kind ofwhite powder. It has synonyms ofThymol(8CI);1-Methyl-3-hydroxy-4-i

1. Introduction of Thymol

The Thymol, with its CAS NO 89-83-8, is a kind of white powder. It has synonyms of Thymol(8CI);1-Methyl-3-hydroxy-4-isopropylbenzene;2-Hydroxy-1-isopropyl-4-methylbenzene;2-Isopropyl-5-methylphenol;3-Hydroxy-p-cymene;3-Methyl-6-isopropylphenol;5-Methyl-2-(1-methylethyl)phenol;5-Methyl-2-isopropyl-1-phenol;5-Methyl-2-isopropylphenol;6-Isopropyl-3-methylphenol;6-Isopropyl-m-cresol;Apiguard;NSC 11215;NSC47821;NSC 49142;Thyme camphor;Thymol Chrystals;m-Thymol;p-Cymen-3-ol and Thymol.
 

2. Properties of Thymol

ACD/LogP: 3.252 ACD/LogD (pH 5.5): 3.25 ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 5.5): 174.28 ACD/BCF (pH 7.4): 174.17
ACD/KOC (pH 5.5): 1399.22 ACD/KOC (pH 7.4): 1398.34
#H bond acceptors: 1 #H bond donors: 1
#Freely Rotating Bonds: 2 Polar Surface Area: 20.23  2
Index of Refraction: 1.523 Molar Refractivity: 47.144 cm3
Molar Volume: 154.211 cm3 Polarizability: 18.689 10-24cm3
Surface Tension: 34.9580001831055 dyne/cm Density: 0.974 g/cm3
Flash Point: 102.222 °C Enthalpy of Vaporization: 48.877 kJ/mol
Boiling Point: 232.999 °C at 760 mmHg Vapour Pressure: 0.0379999987781048 mmHg at 25°C

3. Structure descriptors of Thymol

SMILES:CC(C)c1ccc(C)cc1O

Std. InChI:InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3

Std. InChIKey:MGSRCZKZVOBKFT-UHFFFAOYSA-N