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Cas Database |
| Name |
4-Methoxy-2,3,6-trimethylbenzaldehyde |
EINECS | 259-117-2 |
| CAS No. | 54344-92-2 | Density | 1.024 g/cm3 |
| PSA | 26.30000 | LogP | 2.43290 |
| Solubility | N/A | Melting Point |
63.0 to 68.0 °C |
| Formula | C11H14O2 | Boiling Point | 301.2 °C at 760 mmHg |
| Molecular Weight | 178.231 | Flash Point | 133.4 °C |
| Transport Information | N/A | Appearance | White Crystaline Solid |
| Safety | 26 | Risk Codes | 36 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
p-Anisaldehyde, 2,3,6-trimethyl- (7CI);4-Methoxy-2,3,6-trimethylbenzaldehyde; |
Article Data | 12 |
4-Methoxy-2,3,6-trimethylbenzaldehyde Specification
The CAS register number of 4-Methoxy-2,3,6-trimethylbenzaldehyde is 54344-92-2. It also can be called as Benzaldehyde, 4-methoxy-2,3,6-trimethyl- and the IUPAC name about this chemical is 4-methoxy-2,3,6-trimethylbenzaldehyde. It belongs to the following product categories, such as Aromatic Aldehydes & Derivatives (substituted), Aromatics snd so on.
Physical properties about 4-Methoxy-2,3,6-trimethylbenzaldehyde are: (1)ACD/LogP: 3.08; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 26.3Å2; (5)Index of Refraction: 1.535; (6)Molar Refractivity: 54.15 cm3; (7)Molar Volume: 173.9 cm3; (8)Polarizability: 21.47x10-24cm3; (9)Surface Tension: 34.6 dyne/cm; (10)Enthalpy of Vaporization: 54.13 kJ/mol; (11)Boiling Point: 301.2 °C at 760 mmHg; (12)Vapour Pressure: 0.00107 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(cc(OC)c(c1C)C)C
(2)InChI: InChI=1/C11H14O2/c1-7-5-11(13-4)9(3)8(2)10(7)6-12/h5-6H,1-4H3
(3)InChIKey: BTOFIDLWQJCUJG-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H14O2/c1-7-5-11(13-4)9(3)8(2)10(7)6-12/h5-6H,1-4H3
(5)Std. InChIKey: BTOFIDLWQJCUJG-UHFFFAOYSA-N
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