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Name |
Benzenemethanol,2-methoxy-a-methyl- |
EINECS | 236-850-6 |
CAS No. | 13513-82-1 | Density | 1.053 g/cm3 |
PSA | 29.46000 | LogP | 1.74850 |
Solubility | N/A | Melting Point |
37-39 °C |
Formula | C9H12O2 | Boiling Point | 236.4 °C at 760 mmHg |
Molecular Weight | 152.193 | Flash Point | 110.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(?à)-1-(2-Methoxyphenyl)ethanol;Benzylalcohol, o-methoxy-a-methyl- (6CI,7CI,8CI);1-(2-Methoxyphenyl)ethanol;2-Methoxy-a-methylbenzenemethanol;2-Methoxy-a-methylbenzyl alcohol;o-Methoxy-a-methylbenzyl alcohol;a-(2-Methoxyphenyl)ethanol;a-Methyl-o-methoxybenzyl alcohol; |
Article Data | 334 |
The Benzenemethanol, 2-methoxy-a-methyl-, with the CAS registry number 13513-82-1, is also known as 1-(2-Methoxyphenyl)ethan-1-ol. It belongs to the product category of Benzhydrols, Benzyl & Special Alcohols. Its EINECS registry number is 236-850-6. This chemical's molecular formula is C9H12O2 and molecular weight is 152.19. What's more, its IUPAC name is 1-(2-Methoxyphenyl)ethanol. In addition, it must be placed in a dry, cool place. During using it, you should avoid contacting with skin and eyes.
Physical properties about Benzenemethanol, 2-methoxy-a-methyl- are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.7; (6)ACD/BCF (pH 7.4): 5.7; (7)ACD/KOC (pH 5.5): 120.99; (8)ACD/KOC (pH 7.4): 120.99; (9)#H bond acceptors: 2 ; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 44.01 cm3; (15)Molar Volume: 144.5 cm3; (16)Polarizability: 17.45×10-24 cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.053 g/cm3; (19)Flash Point: 110.8 °C; (20)Enthalpy of Vaporization: 50.01 kJ/mol; (21)Boiling Point: 236.4 °C at 760 mmHg; (22)Vapour Pressure: 0.026 mmHg at 25 °C.
Preparation of Benzenemethanol, 2-methoxy-a-methyl-: this chemical is prepared by1-(2-Methoxy-phenyl)-ethanone. The reaction needs reagent NaBH4 and solvent Methanol. The reaction time is 45 minutes.
Uses of Benzenemethanol, 2-methoxy-a-methyl-: it is used to produce other chemicals. For example, it is used to produce 1-(2-Methoxy-phenyl)-ethanethiol. The reaction needs reagent Lawesson's reagent and solvent CH2Cl2. The reaction time is 28 hours with reaction temperature of 20 °C. The yield is about 58 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccccc1C(O)C)C
(2) InChI: InChI=1/C9H12O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-7,10H,1-2H3
(3) InChIKey: DHHGVIOVURMJEA-UHFFFAOYAS