Benzenemethanol, a,a,4-trimethyl- (1197-01-9)

Identification
Name:	Benzenemethanol, a,a,4-trimethyl-
Synonyms:	p-Cymen-8-ol(7CI,8CI);1-Methyl-4-(1-hydroxy-1-methylethyl)benzene;1-Methyl-4-(a-hydroxyisopropyl)benzene;2-(4-Methylphenyl)-2-propanol;2-(p-Methylphenyl)-2-propanol;2-(p-Tolyl)-2-propanol;4-Methylcumyl alcohol;8-Hydroxy-p-cymene;Dimethyl-p-tolyl carbinol;NSC 361057;p-Cymene-8-ol;a,a,4-Trimethylbenzyl alcohol;
CAS:	1197-01-9
EINECS:	214-817-7
Molecular Formula:	C₁₀H₁₄O
Molecular Weight:	150.22
InChI:	InChI=1/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3
Molecular Structure:
Properties
Flash Point:	102.7°C
Boiling Point:	204.8°Cat760mmHg
Density:	0.979g/cm³
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
Refractive index:	n20/D 1.5185(lit.)
Water Solubility:	Slightly soluble in water
Solubility:	slight
Appearance:	colourless to light yellow liquid with acelery-like odour
Specification:	The 2-(4-Methylphenyl)propan-2-ol with the CAS number 1197-01-9 is also called Benzenemethanol, a,a,4-trimethyl-. Its EINECS registry number is 214-817-7. The molecular formula is C₁₀H₁₄O. This chemical belongs to the following product categories: (1)API intermediates; (2)Alphabetical Listings; (3)Flavors and Fragrances; (4)Q-Z. The properties of the chemical are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.26; (6)ACD/BCF (pH 7.4): 27.26; (7)ACD/KOC (pH 5.5): 370.86; (8)ACD/KOC (pH 7.4): 370.86; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 46.36 cm³; (15)Molar Volume: 153.3 cm³; (16)Polarizability: 18.38×10^-24cm³; (17)Surface Tension: 33.8 dyne/cm; (18)Enthalpy of Vaporization: 46.63 kJ/mol; (19)Vapour Pressure: 0.156 mmHg at 25°C. You can still convert the following datas into molecular structure: (1)SMILES: OC(c1ccc(cc1)C)(C)C (2)InChI: InChI=1/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3 (3)InChIKey: XLPDVYGDNRIQFV-UHFFFAOYAP
Flash Point:	102.7°C
Safety Data

Benzenemethanol, a,a,4-trimethyl- (1197-01-9)

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