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Name |
2,4,6-Trimethoxybenzaldehyde |
EINECS | 212-598-2 |
CAS No. | 830-79-5 | Density | 1.133 g/cm3 |
PSA | 44.76000 | LogP | 1.52490 |
Solubility | Insoluble in water. | Melting Point |
115-120 °C(lit.) |
Formula | C10H12O4 | Boiling Point | 339.1 °C at 760 mmHg |
Molecular Weight | 196.203 | Flash Point | 151.3 °C |
Transport Information | N/A | Appearance | pink crystal power |
Safety | 22-24/25-45-36/37/39-27-26 | Risk Codes | 36/37/38-34 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
2,4,6-Trimethoxybenzolcarbaldehyd; |
Article Data | 40 |
The CAS register number of Benzaldehyde,2,4,6-trimethoxy- is 830-79-5. It also can be called as 2,4,6-Trimethoxybenzolcarbaldehyd and the IUPAC name about this chemical is 2,4,6-trimethoxybenzaldehyde. The molecular formula about this chemical is C10H12O4 and the molecular weight is 196.20. It belongs to the following product categories, such as This chemical Fine Chemical & Intermediates; Aldehydes; blocks; Aromatic Aldehydes & Derivatives (substituted); Building Blocks; C10 to C21; Carbonyl Compoundsis and so on. It can be used as antibacterial synergist. This chemical is stable under normal temperatures and pressures. If you want to store this chemical, please keep it in a tightly closed container and store it in a cool, dry, well-ventilated area away from incompatible substances.
Physical properties about Benzaldehyde,2,4,6-trimethoxy- are: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): 1.49; (3)ACD/LogD (pH 7.4): 1.49; (4)ACD/BCF (pH 5.5): 8.01; (5)ACD/BCF (pH 7.4): 8.01; (6)ACD/KOC (pH 5.5): 154.33; (7)ACD/KOC (pH 7.4): 154.33; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 44.76Å2; (11)Index of Refraction: 1.524; (12)Molar Refractivity: 53.04 cm3; (13)Molar Volume: 173.1 cm3; (14)Polarizability: 21.02x10-24cm3; (15)Surface Tension: 35.4 dyne/cm; (16)Enthalpy of Vaporization: 58.26 kJ/mol; (17)Boiling Point: 339.1 °C at 760 mmHg; (18)Vapour Pressure: 9.37E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by N,N-dimethyl-formamide and 1,3,5-trimethoxy-benzen. This reaction will need reagent POCl3. The yield is about 98%.
Uses of Benzaldehyde,2,4,6-trimethoxy-: it can be used to produce 2,4,6-trimethoxy-benzyl alcohol at temperature of 5 - 20 °C. This reaction will need reagent NaBH4.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin, it can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need avoid contact with skin and eyes and Take off immediately all contaminated clothing, you need remeber do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice andIn case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(OC)cc(OC)cc1OC
(2)InChI: InChI=1/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3
(3)InChIKey: CRBZVDLXAIFERF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3
(5)Std. InChIKey: CRBZVDLXAIFERF-UHFFFAOYSA-N