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| CAS No.: | 3319-15-1 |
|---|---|
| Name: | 1-(4-METHOXYPHENYL)ETHANOL |
| Molecular Structure: | |
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| Formula: | C9H12O2 |
| Molecular Weight: | 152.193 |
| Synonyms: | Benzylalcohol, p-methoxy-α-methyl- (7CI,8CI);p-Anisyl alcohol, α-methyl- (6CI);(4-Methoxyphenyl)methylcarbinol;Benzenemethanol, 4-methoxy-α-methyl-;1-(4-Methoxyphenyl)ethan-1-ol;1-(4-Methoxyphenyl)ethanol;1-(p-Anisyl)ethanol;1-(p-Methoxyphenyl)ethanol;1-Hydroxyethyl-4-methoxybenzene;4-Methoxy-αmethylbenzenemethanol;4-Methoxy-α-methylbenzyl alcohol;NSC406712;p-Methoxy-α-methylbenzyl alcohol;p-Methoxy-α-phenylethanol;p-Methoxyphenyl methyl carbinol;α-Methyl-4-methoxybenzyl alcohol; |
| EINECS: | 222-019-5 |
| Density: | 1.053 g/cm3 |
| Boiling Point: | 254.3 °C at 760 mmHg |
| Flash Point: | 108 °C |
| Solubility: | Not miscible in water. |
| Appearance: | liquid |
| Safety: | 24/25 |
| PSA: | 29.46000 |
| LogP: | 1.74850 |
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Specification
The 4-Methoxy-alpha-methylbenzyl alcohol, with the CAS registry number 3319-15-1, is also known as p-Methoxyphenyl methyl carbinol. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Alkohols;Alcohols; C9 to C30; Oxygen Compounds. Its EINECS number is 222-019-5. This chemical's molecular formula is C9H12O2 and molecular weight is 152.19. What's more, its systematic name is 1-(4-methoxyphenyl)ethanol. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light. When using it, you should avoid contacting with skin and eyes.
Physical properties of 4-Methoxy-alpha-methylbenzyl alcohol are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/BCF (pH 5.5): 5.7; (5)ACD/KOC (pH 5.5): 120.99; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 18.46 Å2; (10)Index of Refraction: 1.521; (11)Molar Refractivity: 44.01 cm3; (12)Molar Volume: 144.5 cm3; (13)Polarizability: 17.45×10-24cm3; (14)Surface Tension: 36.8 dyne/cm; (15)Density: 1.053 g/cm3; (16)Flash Point: 108 °C; (17)Enthalpy of Vaporization: 51.96 kJ/mol; (18)Boiling Point: 254.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00899 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(4-methoxy-phenyl)-ethanone at the temperature of 40 °C. This reaction will need reagents CaH2, ZnBr2, Ti(O-i-Pr)4 and solvent tetrahydrofuran with the reaction time of 12 hours. The yield is about 90%.
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Uses of 4-Methoxy-alpha-methylbenzyl alcohol: it can be used to produce 4-(1-chloro-ethyl)-anisole at the temperature of 5 °C. It will need reagent SOCl2 with the reaction time of 1.5 hours. The yield is about 31%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C1=CC=C(C=C1)OC)O
(2)InChI: InChI=1S/C9H12O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3
(3)InChIKey: IUUULXXWNYKJSL-UHFFFAOYSA-N