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CAS No.: | 3392-97-0 |
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Name: | 2,6-Dimethoxybenzaldehyde |
Article Data: | 43 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | NSC 72362; |
Density: | 1.114 g/cm3 |
Melting Point: | 96-98 °C(lit.) |
Boiling Point: | 289.6 °C at 760 mmHg |
Flash Point: | 119.8 °C |
Appearance: | yellow to beige crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 35.53000 |
LogP: | 1.51630 |
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The 2,6-Dimethoxybenzaldehyde, with the CAS registry number 3392-97-0, is also known as Benzaldehyde, 2,6-dimethoxy-. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Phenyls & Phenyl-Het; Benzaldehyde; Phenyls & Phenyl-Het; C9; Carbonyl Compounds; Others chemical reagents. This chemical's molecular formula is C9H10O3 and molecular weight is 166.17. Its IUPAC name is called 2,6-dimethoxybenzaldehyde. This chemical is yellow to beige crystalline powder. It can be used as pharmaceutical intermediates. The product should be sealed and stored in cool and dry place.
Physical properties of 2,6-Dimethoxybenzaldehyde: (1)ACD/LogP: 1.67; (2)ACD/LogD (pH 5.5): 1.67; (3)ACD/LogD (pH 7.4): 1.67; (4)ACD/BCF (pH 5.5): 10.96; (5)ACD/BCF (pH 7.4): 10.96; (6)ACD/KOC (pH 5.5): 193.2; (7)ACD/KOC (pH 7.4): 193.2; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 46.36 cm3; (12)Molar Volume: 149.1 cm3; (13)Surface Tension: 36.1 dyne/cm; (14)Density: 1.114 g/cm3; (15)Flash Point: 119.8 °C; (16)Enthalpy of Vaporization: 52.89 kJ/mol; (17)Boiling Point: 289.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00217 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,6-dimethoxy-benzyl alcohol. This reaction will need reagent (CH3)3COOH and solvent CH2Cl2. The reaction time is 12 hours with reaction temperature of 20 °C. The yield is about 4%.
Uses of 2,6-Dimethoxybenzaldehyde: it can be used to produce 2-hydroxy-6-methoxy-benzaldehyde. This reaction will need reagent AlCl3 and benzene.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C(=CC=C1)OC)C=O
(2)InChI: InChI=1S/C9H10O3/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-6H,1-2H3
(3)InChIKey: WXSGQHKHUYTJNB-UHFFFAOYSA-N