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3228-04-4

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Basic Information
CAS No.: 3228-04-4
Name: NISTC3228044
Article Data: 3
Molecular Structure:
Molecular Structure of 3228-04-4 (NISTC3228044)
Formula: C10H14O
Molecular Weight: 150.221
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);
Density: 0.974 g/cm3
Melting Point: -14.5°C
Boiling Point: 225.5 °C at 760 mmHg
Flash Point: 95.6 °C
PSA: 20.23000
LogP: 2.82400
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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