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| CAS No.: | 7417-18-7 |
|---|---|
| Name: | 1-(2-METHOXYPHENYL)ETHANOL |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C9H12O2 |
| Molecular Weight: | 152.193 |
| Synonyms: | Phenethylalcohol, o-methoxy- (6CI,7CI,8CI);2-(2-Methoxyphenyl)-1-ethanol;2-(2-Methoxyphenyl)ethanol;2-(2-Methoxyphenyl)ethyl alcohol;2-(o-Methoxyphenyl)ethanol;2-Methoxybenzeneethanol;2-Methoxyphenethylalcohol;NSC 101847; |
| EINECS: | 231-029-9 |
| Density: | 1.058 g/cm3 |
| Melting Point: | 37 °C |
| Boiling Point: | 261.8 °C at 760 mmHg |
| Flash Point: | 100.7 °C |
| Safety: | 24/25 |
| PSA: | 29.46000 |
| LogP: | 1.23000 |
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Specification
The 2-Methoxyphenethyl alcohol with the CAS number 7417-18-7 is also called Benzeneethanol,2-methoxy-. Both the systematic name and IUPAC name are 2-(2-methoxyphenyl)ethanol. Its molecular formula is C9H12O2. The EINECS registry number is 231-029-9. This chemcial belongs to the following product categories: (1)Benzhydrols, Benzyl & Special Alcohols; (2)Alcohols; (3)C9 to C30; (4)Oxygen Compounds.
The properties of the 2-Methoxyphenethyl alcohol are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.48; (6)ACD/BCF (pH 7.4): 5.48; (7)ACD/KOC (pH 5.5): 117.56; (8)ACD/KOC (pH 7.4): 117.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 44.01 cm3; (15)Molar Volume: 143.7 cm3; (16)Polarizability: 17.44×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Enthalpy of Vaporization: 52.77 kJ/mol; (19)Vapour Pressure: 0.00574 mmHg at 25°C.
Preparation: This chemical can be prepared by (2-methoxy-phenyl)-acetic acid. This reaction needs reagent LiAlH4.
Uses: This chemical can prepare 2-(2-chloro-ethyl)-anisole. This reaction needs reagent pyridine and SOCl2 at temperature of 80-100 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1CCO)C
(2)InChI: InChI=1/C9H12O2/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,10H,6-7H2,1H3
(3)InChIKey: XLDRDNQLEMMNNH-UHFFFAOYAX