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| CAS No.: | 6630-18-8 |
|---|---|
| Name: | 4-BENZYLOXYANISOLE |
| Article Data: | 47 |
| Molecular Structure: | |
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| Formula: | C14H14O2 |
| Molecular Weight: | 214.264 |
| Synonyms: | Benzene,1-(benzyloxy)-4-methoxy- (6CI,7CI);Ether, benzyl p-methoxyphenyl (8CI);1-(Benzyloxy)-4-methoxybenzene;1-Methoxy-4-(phenylmethoxy)benzene;4-(Benzyloxy)anisole;Benzyl 4-methoxyphenyl ether;Benzyl p-methoxyphenylether;NSC 60031;p-(Benzyloxy)anisole; |
| Density: | 1.081 g/cm3 |
| Melting Point: | 71 °C |
| Boiling Point: | 334.3 °C at 760 mmHg |
| Flash Point: | 134.9 °C |
| PSA: | 18.46000 |
| LogP: | 3.27420 |
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- Total:13 Page 1 of 1 1
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Specification
The Benzene, 1-methoxy-4-(phenylmethoxy)-, with the CAS registry number 6630-18-8, is also known as 4-Benzyloxyanisole. This chemical's molecular formula is C14H14O2 and molecular weight is 214.26. What's more, its IUPAC name is 1-Methoxy-4-phenylmethoxybenzene.
Physical properties about Benzene, 1-methoxy-4-(phenylmethoxy)- are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 420.09; (6)ACD/BCF (pH 7.4): 420.09; (7)ACD/KOC (pH 5.5): 2626.57; (8)ACD/KOC (pH 7.4): 2626.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 64.09 cm3; (15)Molar Volume: 198.1 cm3; (16)Polarizability: 25.41×10-24 cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.081 g/cm3; (19)Flash Point: 134.9 °C; (20)Enthalpy of Vaporization: 55.43 kJ/mol; (21)Boiling Point: 334.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000251 mmHg at 25 °C.
Preparation of Benzene, 1-methoxy-4-(phenylmethoxy)-: this chemical is prepared by reaction of 1-Acetoxy-4-methoxy-benzene with Bromomethyl-benzene at ambient temperature. The reaction needs reagent NaOMe and solvent Dimethylformamide. The reaction time is 0.5 hour. The yield is about 94 %.
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Uses of Benzene, 1-methoxy-4-(phenylmethoxy)-: it is used to produce other chemicals. For example, it is used to produce 4-Methoxy-phenol. The reaction needs reagent Na and solvent Hexamethylphosphoric acid triamide. The reaction time is 3 hours with reaction temperature of 100 °C. The yield is about 90 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(OC)cc1)Cc2ccccc2
(2) InChI: InChI=1/C14H14O2/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
(3) InChIKey: YXPFQYIWXTVCKV-UHFFFAOYAO