CAS No.33693-48-0,4-BENZYLOXY-3-METHOXYBENZYL ALCOHOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	33693-48-0
Name:	4-BENZYLOXY-3-METHOXYBENZYL ALCOHOL
Article Data:	44

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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Specification

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%.

Benzenemethanol,3-methoxy-4-(phenylmethoxy)- can be prepared by bromomethyl-benzene and 4-hydroxy-3-methoxy-benzyl alcohol by heating

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%.

Benzenemethanol,3-methoxy-4-(phenylmethoxy)- can be used to produce 4-benzyloxy-2-bromo-5-methoxybenzyl alcohol at the ambient temperature

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