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CAS No.: | 33693-48-0 |
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Name: | 4-BENZYLOXY-3-METHOXYBENZYL ALCOHOL |
Article Data: | 44 |
Molecular Structure: | |
Formula: | C15H16O3 |
Molecular Weight: | 244.29 |
Synonyms: | Benzylalcohol, 4-(benzyloxy)-3-methoxy- (8CI);(4-Benzyloxy-3-methoxyphenyl)methanol;3-Methoxy-4-(benzyloxy)benzyl alcohol;4-(Benzyloxy)-3-methoxybenzyl alcohol;NSC 169518;O-Benzylvanillyl alcohol;Vanillyl alcohol benzyl ether; |
EINECS: | 251-638-3 |
Density: | 1.152 g/cm3 |
Melting Point: | 71-73 °C(lit.) |
Boiling Point: | 395.6 °C at 760 mmHg |
Flash Point: | 193 °C |
Appearance: | white crystalline powder |
Safety: | 24/25 |
PSA: | 38.69000 |
LogP: | 2.76650 |
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The Benzenemethanol,3-methoxy-4-(phenylmethoxy)-, with the CAS registry number 33693-48-0, is also known as 4-(Benzyloxy)-3-methoxybenzyl alcohol. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohols; C9 to C30; Oxygen Compounds. Its EINECS number is 251-638-3. This chemical's molecular formula is C15H16O3 and molecular weight is 244.29. What's more, its systematic name is (3-methoxy-4-phenylmethoxyphenyl)methanol. When using it, you must avoid contact with skin and eyes. It should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.
Physical properties of Benzenemethanol,3-methoxy-4-(phenylmethoxy)- are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.17; (6)ACD/BCF (pH 7.4): 41.17; (7)ACD/KOC (pH 5.5): 498.08; (8)ACD/KOC (pH 7.4): 498.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 70.54 cm3; (15)Molar Volume: 211.9 cm3; (16)Polarizability: 27.96×10-24cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.152 g/cm3; (19)Flash Point: 193 °C; (20)Enthalpy of Vaporization: 68.1 kJ/mol; (21)Boiling Point: 395.6 °C at 760 mmHg; (22)Vapour Pressure: 5.74E-07 mmHg at 25°C.
Preparation of Benzenemethanol,3-methoxy-4-(phenylmethoxy)-: this chemical can be prepared by bromomethyl-benzene and 4-hydroxy-3-methoxy-benzyl alcohol by heating. This reaction will need reagents K2CO3, 18-crown-6 and solvent toluene. The yield is about 96%.
Uses of Benzenemethanol,3-methoxy-4-(phenylmethoxy)-: it can be used to produce 4-benzyloxy-2-bromo-5-methoxybenzyl alcohol at the ambient temperature. It will need reagent pyridinium bromide perbromide and solvent methanol with the reaction time of 2 hours. The yield is about 72%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC(=C1)CO)OCC2=CC=CC=C2
(2)InChI: InChI=1S/C15H16O3/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3
(3)InChIKey: PDBXFVPMVYQICB-UHFFFAOYSA-N