Phenol, 2-isopropyl-6-methyl- supplier

Name
NISTC3228044
EINECS
CAS No. 3228-04-4
Article Data3
CAS DataBase
Density 0.974 g/cm³
Solubility
Melting Point -14.5°C
Formula C₁₀H₁₄O
Boiling Point 225.5 °C at 760 mmHg
Molecular Weight 150.221
Flash Point 95.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms m-Cymen-2-ol;o-Thymol;2-ISOPROPYL-6-METHYLPHENOL;2-methyl-6-propan-2-yl-phenol;Phenol, 2-methyl-6-(1-methylethyl)- (9CI);3-06-00-01882 (Beilstein Handbook Reference);
PSA 20.23000
LogP 2.82400

Phenol, 2-isopropyl-6-methyl- Specification

The Phenol, 2-isopropyl-6-methyl- is an organic compound with the formula C₁₀H₁₄O. The IUPAC name of this chemical is 2-methyl-6-propan-2-ylphenol. With the CAS registry number 3228-04-4, it is also named as 2-Isopropyl-6-methylphenol.

Physical properties about Phenol, 2-isopropyl-6-methyl- are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 183.42; (5)ACD/BCF (pH 7.4): 183.35; (6)ACD/KOC (pH 5.5): 1451.39; (7)ACD/KOC (pH 7.4): 1450.86; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 47.14 cm³; (14)Molar Volume: 154.2 cm³; (15)Polarizability: 18.68×10^-24cm³; (16)Surface Tension: 34.9 dyne/cm; (17)Density: 0.974 g/cm³; (18)Flash Point: 95.6 °C; (19)Enthalpy of Vaporization: 48.08 kJ/mol; (20)Boiling Point: 225.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0575 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c(cccc1C(C)C)C
(2)InChI: InChI=1/C10H14O/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7,11H,1-3H3
(3)InChIKey: KFETUQFRWIVAMU-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H14O/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7,11H,1-3H3
(5)Std. InChIKey: KFETUQFRWIVAMU-UHFFFAOYSA-N

Product Name

NISTC3228044

Phenol, 2-isopropyl-6-methyl- Specification

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