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CAS No.: | 62285-58-9 |
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Name: | 2,6-Dimethylbenzyl alcohol |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C9H12O |
Molecular Weight: | 136.194 |
Synonyms: | Benzylalcohol, 2,6-dimethyl- (7CI);(2,6-Dimethylphenyl)methanol;2,6-Dimethylbenzylalcohol;NSC 618295; |
Density: | 1.002 g/cm3 |
Melting Point: | 81-82 °C(Solv: ligroine (8032-32-4)) |
Boiling Point: | 225.9 °C at 760 mmHg |
Flash Point: | 101.7 °C |
Safety: | 24/25 |
PSA: | 20.23000 |
LogP: | 1.79570 |
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The 2,6-Dimethylbenzyl alcohol with the CAS number 62285-58-9 is also called Benzenemethanol,2,6-dimethyl-. Both the systematic name and IUPAC name are (2,6-dimethylphenyl)methanol. Its molecular formula is C9H12O. The product category is Benzhydrols, Benzyl & Special Alcohols.
The properties of the chemical are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 18.01; (6)ACD/BCF (pH 7.4): 18.01; (7)ACD/KOC (pH 5.5): 275.66; (8)ACD/KOC (pH 7.4): 275.66; (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: 1.536; (14)Molar Refractivity: 42.35 cm3; (15)Molar Volume: 135.8 cm3; (16)Polarizability: 16.79×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Enthalpy of Vaporization: 48.87 kJ/mol; (19)Vapour Pressure: 0.0479 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1c(cccc1C)C
(2)InChI: InChI=1/C9H12O/c1-7-4-3-5-8(2)9(7)6-10/h3-5,10H,6H2,1-2H3
(3)InChIKey: JPEYJQDKTDVJSZ-UHFFFAOYAE