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| CAS No.: | 1517-70-0 |
|---|---|
| Name: | (R)-1-(4-CHLOROPHENYL)ETHANOL |
| Article Data: | 515 |
| Molecular Structure: | |
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| Formula: | C9H12O2 |
| Molecular Weight: | 152.193 |
| Synonyms: | Benzenemethanol, 4-methoxy-α-methyl-, (R)-;(+)-(R)-1-(4-Methoxyphenyl)ethanol;(+)-1-(p-Methoxyphenyl)ethanol;(αR)-4-Methoxy-α-methylbenzenemethanol; |
| Density: | 1.053 g/cm3 |
| Boiling Point: | 254.344 °C at 760 mmHg |
| Flash Point: | 107.969 °C |
| PSA: | 29.46000 |
| LogP: | 1.74850 |
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Specification
The (R)-1-(4-Methoxyphenyl)ethanol, with the CAS registry number 1517-70-0, is also known as Benzenemethanol, 4-methoxy-α-methyl-, (R)-. This chemical's molecular formula is C9H12O2 and molecular weight is 152.19. What's more, its systematic name is (1R)-1-(4-Methoxyphenyl)ethanol.
Physical properties of (R)-1-(4-Methoxyphenyl)ethanol are: (1)ACD/LogP: 1.546; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.81; (6)ACD/BCF (pH 7.4): 8.81; (7)ACD/KOC (pH 5.5): 165.23; (8)ACD/KOC (pH 7.4): 165.23; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 44.018 cm3; (15)Molar Volume: 144.507 cm3; (16)Polarizability: 17.45×10-24cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.053 g/cm3; (19)Flash Point: 107.969 °C; (20)Enthalpy of Vaporization: 51.96 kJ/mol; (21)Boiling Point: 254.344 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.
Uses of (R)-1-(4-Methoxyphenyl)ethanol: it can be used to produce alpha-(chloromethyl)-4-methoxy-benzenemethanol by heating. It will need regents Bu3SnH, AIBN and solvent benzene with the reaction time of 10 hours. The yield is about 76%.
-1-(4-Methoxyphenyl)ethanol.jpeg)
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)[C@H](O)C)C
(2)Std. InChI: InChI=1S/C9H12O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3/t7-/m1/s1
(3)Std. InChIKey: IUUULXXWNYKJSL-SSDOTTSWSA-N