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Benzene,[(2,2-dimethoxyethoxy)methyl]-

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Name

Benzene,[(2,2-dimethoxyethoxy)methyl]-

EINECS -0
CAS No. 127657-97-0 Density 1.026 g/cm3
PSA 27.69000 LogP 1.82210
Solubility N/A Melting Point N/A
Formula C11H16O3 Boiling Point 252.7 °C at 760 mmHg
Molecular Weight 196.246 Flash Point 94.2 °C
Transport Information N/A Appearance colorless liquid
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 127657-97-0 (BENZYLOXYACETALDEHYDE DIMETHYL ACETAL) Hazard Symbols N/A
Synonyms

2-(Benzyloxy)-1,1-dimethoxyethane;Benzyloxyacetaldehyde dimethyl acetal;[(2,2-Dimethoxyethoxy)methyl]benzene;

Article Data 6

Benzene,[(2,2-dimethoxyethoxy)methyl]- 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

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