CAS No.127657-97-0,BENZYLOXYACETALDEHYDE DIMETHYL ACETAL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	127657-97-0
Name:	BENZYLOXYACETALDEHYDE DIMETHYL ACETAL
Article Data:	6

Formula:	C₁₁H₁₆O₃
Molecular Weight:	196.246
Synonyms:	2-(Benzyloxy)-1,1-dimethoxyethane;Benzyloxyacetaldehyde dimethyl acetal;[(2,2-Dimethoxyethoxy)methyl]benzene;
EINECS:	-0
Density:	1.026 g/cm³
Boiling Point:	252.7 °C at 760 mmHg
Flash Point:	94.2 °C
Appearance:	colorless liquid
Safety:	24/25
PSA:	27.69000
LogP:	1.82210

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Specification

The Benzene,[(2,2-dimethoxyethoxy)methyl]-, with the CAS registry number 127657-97-0, is also known as 2-(Benzyloxy)-1,1-dimethoxyethane. This chemical's molecular formula is C₁₁H₁₆O₃ and molecular weight is 196.24. What's more, its systematic name is [(2,2-dimethoxyethoxy)methyl]benzene. 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 Benzene,[(2,2-dimethoxyethoxy)methyl]- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.33; (6)ACD/BCF (pH 7.4): 12.33; (7)ACD/KOC (pH 5.5): 210.17; (8)ACD/KOC (pH 7.4): 210.17; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 54.89 cm³; (15)Molar Volume: 191.2 cm³; (16)Polarizability: 21.76×10^-24cm³; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 1.026 g/cm³; (19)Flash Point: 94.2 °C; (20)Enthalpy of Vaporization: 47.03 kJ/mol; (21)Boiling Point: 252.7 °C at 760 mmHg ; (22)Vapour Pressure: 0.0303 mmHg at 25°C.

Uses of Benzene,[(2,2-dimethoxyethoxy)methyl]-: it can be used to produce 2-benzyloxymethyl-[1,3]dioxolane-4-carboxylic acid methyl ester by heating. It will need solvent acetonitrile with the reaction time of 1 hour. This reaction will also need catalyst p-TsOH. The yield is about 79%.

Benzene,[(2,2-dimethoxyethoxy)methyl]- can be used to produce 2-benzyloxymethyl-[1,3]dioxolane-4-carboxylic acid methyl ester by heating

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC(OC)OC)Cc1ccccc1
(2)InChI: InChI=1S/C11H16O3/c1-12-11(13-2)9-14-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
(3)InChIKey: QITBBLPNYKECAZ-UHFFFAOYSA-N