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CAS No.: | 5020-41-7 |
---|---|
Name: | 3-METHOXYPHENETHYL ALCOHOL |
Article Data: | 67 |
Molecular Structure: | |
Formula: | C9H12O2 |
Molecular Weight: | 152.193 |
Synonyms: | Phenethylalcohol, m-methoxy- (6CI,7CI,8CI);1-(2-Hydroxyethyl)-3-methoxybenzene;2-(3-Methoxyphenyl)-1-ethanol;2-(3-Methoxyphenyl)ethanol;2-(m-Methoxyphenyl)ethanol;3-Methoxybenzeneethanol;3-Methoxyphenethylalcohol;NSC 55877;m-Methoxyphenethyl alcohol; |
EINECS: | 225-705-2 |
Density: | 1.058 g/cm3 |
Boiling Point: | 266.8 °C at 760 mmHg |
Flash Point: | 109.8 °C |
Appearance: | Clear colorless to pale yellow liquid |
Safety: | 24/25 |
PSA: | 29.46000 |
LogP: | 1.23000 |
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The 2-(3-Methoxyphenyl)ethanol with the CAS number 5020-41-7 is also called Benzeneethanol,3-methoxy-. Its molecular formula is also called C9H12O2. The EINECS registry number is 225-705-2. The product category is Miscellaneous Reagents. This chemical is clear colorless to pale yellow liquid.
The properties of the chemical 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: 53.33 kJ/mol; (19)Vapour Pressure: 0.0042 mmHg at 25°C.
Preparation: This chemical can be prepared by (3-methoxy-phenyl)-acetic acid. This reaction needs reagent LAH and solvent diethyl ether at heating condition.
Uses: This chemical can prepare 3-(2-bromo-ethyl)-anisole. This reaction needs reagent PBr3.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(ccc1)CCO)C
(2)InChI: InChI=1/C9H12O2/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H3
(3)InChIKey: UPPGEJSCUZMCMW-UHFFFAOYAV