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Benzaldehyde,4-(acetyloxy)-3,5-dimethoxy-

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Name

Benzaldehyde,4-(acetyloxy)-3,5-dimethoxy-

EINECS N/A
CAS No. 53669-33-3 Density 1.2 g/cm3
PSA 61.83000 LogP 1.44160
Solubility N/A Melting Point 115-117 °C(lit.)
Formula C11H12O5 Boiling Point 307.9 °C at 760 mmHg
Molecular Weight 224.213 Flash Point 152.3 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 53669-33-3 (4-ACETOXY-3,5-DIMETHOXYBENZALDEHYDE) Hazard Symbols IrritantXi
Synonyms

4-Acetoxy-3,5-dimethoxybenzaldehyde;4-Formyl-2,6-dimethoxyphenol acetate;Acetic acid 4-formyl-2,6-dimethoxyphenylester;Syringaldehyde acetate;

Article Data 15

Benzaldehyde,4-(acetyloxy)-3,5-dimethoxy- Specification

The Benzaldehyde,4-(acetyloxy)-3,5-dimethoxy-, with the CAS registry number 53669-33-3, is also known as 4-Acetoxy-3,5-dimethoxybenzaldehyde and Acetic acid 4-formyl-2,6-dimethoxyphenylester. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted). This chemical's molecular formula is C11H12O5 and molecular weight is 224.21. What's more, its systematic name is 4-Formyl-2,6-dimethoxyphenol acetate.

Physical properties about Benzaldehyde,4-(acetyloxy)-3,5-dimethoxy- are: (1) ACD/LogP: 0.90; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 5; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 5; (6) Polar Surface Area: 61.83 Å2; (7) Index of Refraction: 1.53; (8) Molar Refractivity: 57.7 cm3; (9) Molar Volume: 186.7 cm3; (10) Polarizability: 22.87×10-24 cm3; (11) Surface Tension: 39.1 dyne/cm; (12) Density: 1.2 g/cm3; (13) Flash Point: 152.3 °C; (14) Enthalpy of Vaporization: 54.85 kJ/mol; (15) Boiling Point: 307.9 °C at 760 mmHg; (16) Vapour Pressure: 0.000705 mmHg at 25 °C.

Uses of Benzaldehyde,4-(acetyloxy)-3,5-dimethoxy-: it is used to produce other chemicals. For example, it is used to produce 4-Acetoxy-3,5-dimethoxy-trans-cinnamic acid. The reaction occurs with reagent tetrabutylammonium iodide, 50percent aq. sodium hydroxide and solvent CH2Cl2 at temperature of 0 - 5 °C. The yield is 78 %. And the reaction equation is as followed:

Benzaldehyde,4-(acetyloxy)-3,5-dimethoxy- is used to produce 4-Acetoxy-3,5-dimethoxy-trans-cinnamic acid

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1c(OC)cc(cc1OC)C=O)C
(2) InChI: InChI=1/C11H12O5/c1-7(13)16-11-9(14-2)4-8(6-12)5-10(11)15-3/h4-6H,1-3H3
(3) InChIKey: CSWKYHGBYCNZAS-UHFFFAOYAV

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