Thymol

Compound Structure

CAS Number: 89-83-8

Molecular Mass: 150.22 g/mol

Formula: C10H14O

Smiles: Cc1ccc(C(C)C)c(O)c1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 279.15 - 817.0 [87]
1-Butanol 283.15 - 1062.1 [87]
1-Butanol 288.25 - 1312.6 [87]
1-Butanol 293.15 - 1632.3 [87]
1-Butanol 298.15 - 1972.8 [87]
1-Butanol 303.15 - 2578.0 [87]
1-Butanol 308.15 - 3376.7 [87]
1-Butanol 313.15 - 6085.9 [87]
1-Propanol 279.15 - 1062.4 [87]
1-Propanol 283.15 - 1459.4 [87]
1-Propanol 288.25 - 1702.7 [87]
1-Propanol 293.15 - 2049.9 [87]
1-Propanol 298.15 - 2520.2 [87]
1-Propanol 303.15 - 3787.8 [87]
1-Propanol 308.15 - 4753.5 [87]
1-Propanol 313.15 - 8219.8 [87]
Acetonitrile 279.15 - 3178.9 [87]
Acetonitrile 283.15 - 3482.8 [87]
Acetonitrile 288.25 - 4385.5 [87]
Acetonitrile 293.15 - 6176.2 [87]
Acetonitrile 298.15 - 8688.7 [87]
Acetonitrile 303.15 - 1.077 × 10⁴ [87]
Acetonitrile 308.15 - 1.387 × 10⁴ [87]
Acetonitrile 313.15 - 2.096 × 10⁴ [87]
Ethanol 279.15 - 2003.8 [87]
Ethanol 283.15 - 2330.5 [87]
Ethanol 288.25 - 2675.8 [87]
Ethanol 293.15 - 3242.3 [87]
Ethanol 298.15 - 4476.8 [87]
Ethanol 303.15 - 5662.3 [87]
Ethanol 308.15 - 7878.1 [87]
Ethanol 313.15 - 1.43 × 10⁴ [87]
Isopropanol 279.15 - 1163.7 [87]
Isopropanol 283.15 - 1499.7 [87]
Isopropanol 288.25 - 1762.9 [87]
Isopropanol 293.15 - 2437.2 [87]
Isopropanol 298.15 - 3061.5 [87]
Isopropanol 303.15 - 4198.1 [87]
Isopropanol 308.15 - 5968.7 [87]
Isopropanol 313.15 - 1.077 × 10⁴ [87]
Methanol 279.15 - 2948.2 [87]
Methanol 283.15 - 3365.1 [87]
Methanol 288.25 - 4093.2 [87]
Methanol 293.15 - 5305.7 [87]
Methanol 298.15 - 7511.8 [87]
Methanol 303.15 - 1.031 × 10⁴ [87]
Methanol 308.15 - 1.513 × 10⁴ [87]
Methanol 313.15 - 2.071 × 10⁴ [87]
Water 298.15 - 0.9812 [88]
Water 303.15 - 1.102 [88]
Water 308.15 - 1.208 [88]
Water 313.15 - 1.398 [88]
Water 318.15 - 1.561 [88]

Molecule 3D descriptors

Descriptor Value
PMI1 228.5189
PMI2 709.6758
PMI3 825.4641
NPR1 0.2768
NPR2 0.8597
RadiusOfGyration 2.4229
InertialShapeFactor 0.0038
Eccentricity 0.9609
Asphericity 0.3866
SpherocityIndex 0.2807
PBF 0.5701