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| CAS No.: | 77301-42-9 |
|---|---|
| Name: | DL-6-METHOXY-ALPHA-METHYL-2-NAPHTHALENEMETHANOL |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C13H14O2 |
| Molecular Weight: | 202.253 |
| Synonyms: | (?à)-1-(6-Methoxynaphthyl)ethanol;1-(6-Methoxy-2-naphthyl)ethanol;1-(6'-Methoxy-2-naphthyl)ethanol;2-(1-Hydroxyethyl)-6-methoxynaphthalene;6-Methoxy-a-methyl-2-naphthalenemethanol;a-(6-Methoxy-2-naphthyl)ethanol;a-(6-Methoxy-2-naphthyl)ethylalcohol;1-(6-methoxynaphthalen-2-yl)ethanol;2-Naphtalenemethanol, 6-methoxy-α-methyl-;2-naphthalenemethanol, 6-methoxy-α-methyl-;6-Methoxy-α-methyl-2-naphthalenemethanol;ethanol, 1-(6-methoxy-2-naphthyl)-; |
| Density: | 1.132 g/cm3 |
| Melting Point: | 111-114 °C |
| Boiling Point: | 355.6 °C at 760 mmHg |
| Flash Point: | 163.1 °C |
| Solubility: | Soluble in DMSO, acetone, dichloromethane, ethylacetate. Insoluble in water. |
| Safety: | 24/25 |
| PSA: | 29.46000 |
| LogP: | 2.90170 |
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Specification
The 2-Naphthalenemethanol,6-methoxy-a-methyl-, with the CAS registry number 77301-42-9, has the systematic name of 1-(6-methoxynaphthalen-2-yl)ethanol. It is a kind of white to yellow-beige crystalline powder, and should avoid contacting with skin and eyes. And the molecular formula of the chemical is C13H14O2.
The characteristics of 2-Naphthalenemethanol,6-methoxy-a-methyl- are as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.13; (6)ACD/BCF (pH 7.4): 49.13; (7)ACD/KOC (pH 5.5): 565.27; (8)ACD/KOC (pH 7.4): 565.27; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 61.86 cm3; (15)Molar Volume: 178.6 cm3; (16)Polarizability: 24.52×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 163.1 °C; (20)Enthalpy of Vaporization: 63.4 kJ/mol; (21)Boiling Point: 355.6 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-05 mmHg at 25°C.
Uses of 2-Naphthalenemethanol,6-methoxy-a-methyl-: It can react with acetic acid anhydride to produce 1-acetoxy-1-(6-methoxy-[2]naphthyl)-ethane. This reaction will need reagent 4-dimethylaminopyridine, and the menstruum triethylamine. And the yield is about 94%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(c1ccc2c(c1)ccc(OC)c2)C
(2)InChI: InChI=1/C13H14O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-9,14H,1-2H3
(3)InChIKey: OUVJWFRUESFCCY-UHFFFAOYAE