Phenol,5-methyl-2-(1-methylethyl)-4-[(phenylmethylene)amino]- supplier

Name
5-methyl-4-{[(E)-phenylmethylidene]amino}-2-(propan-2-yl)phenol
EINECS
CAS No. 7251-18-5
Article Data3
CAS DataBase
Density 1.01 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₉NO
Boiling Point 418.5 °C at 760 mmHg
Molecular Weight 253.344
Flash Point 270.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thymol, 6-(benzylideneamino)-(6CI,8CI);NSC 30711;5-methyl-4-{[(E)-phenylmethylidene]amino}-2-(propan-2-yl)phenol;
PSA
LogP

Phenol,5-methyl-2-(1-methylethyl)-4-[(phenylmethylene)amino]- Specification

The Phenol,5-methyl-2-(1-methylethyl)-4-[(phenylmethylene)amino]-, with the CAS registry number 7251-18-5, is also known as Thymol, 6-(benzylideneamino)-(6CI,8CI). This chemical's molecular formula is C₁₇H₁₉NO and molecular weight is 253.34. What's more, its systematic name is 5-methyl-4-{[(E)-phenylmethylidene]amino}-2-(propan-2-yl)phenol.

Physical properties of Phenol,5-methyl-2-(1-methylethyl)-4-[(phenylmethylene)amino]- are: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 21.59 Å²; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 79.14 cm³; (9)Molar Volume: 248.6 cm³; (10)Polarizability: 31.37×10^-24 cm³; (11)Surface Tension: 34.8 dyne/cm; (12)Density: 1.01 g/cm³; (13)Flash Point: 270.9 °C; (14)Enthalpy of Vaporization: 69.81 kJ/mol; (15)Boiling Point: 418.5 °C at 760 mmHg; (16)Vapour Pressure: 1.35E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Oc2cc(c(\N=C\c1ccccc1)cc2C(C)C)C
(2)InChI: InChI=1/C17H19NO/c1-12(2)15-10-16(13(3)9-17(15)19)18-11-14-7-5-4-6-8-14/h4-12,19H,1-3H3/b18-11+
(3)InChIKey: ZGGSOQNHPVVQAR-WOJGMQOQBU

Product Name

5-methyl-4-{[(E)-phenylmethylidene]amino}-2-(propan-2-yl)phenol

Phenol,5-methyl-2-(1-methylethyl)-4-[(phenylmethylene)amino]- Specification

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