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Name |
2,6-Dimethylbenzyl alcohol |
EINECS | N/A |
CAS No. | 62285-58-9 | Density | 1.002 g/cm3 |
PSA | 20.23000 | LogP | 1.79570 |
Solubility | N/A | Melting Point |
81-82 °C(Solv: ligroine (8032-32-4)) |
Formula | C9H12O | Boiling Point | 225.9 °C at 760 mmHg |
Molecular Weight | 136.194 | Flash Point | 101.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzylalcohol, 2,6-dimethyl- (7CI);(2,6-Dimethylphenyl)methanol;2,6-Dimethylbenzylalcohol;NSC 618295; |
Article Data | 34 |
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