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54344-92-2

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Basic Information
CAS No.: 54344-92-2
Name: 4-METHOXY-2,3,6-TRIMETHYL-BENZALDEHYDE
Article Data: 12
Molecular Structure:
Molecular Structure of 54344-92-2 (4-METHOXY-2,3,6-TRIMETHYL-BENZALDEHYDE)
Formula: C11H14O2
Molecular Weight: 178.231
Synonyms: p-Anisaldehyde, 2,3,6-trimethyl- (7CI);4-Methoxy-2,3,6-trimethylbenzaldehyde;
EINECS: 259-117-2
Density: 1.024 g/cm3
Melting Point: 63.0 to 68.0 °C
Boiling Point: 301.2 °C at 760 mmHg
Flash Point: 133.4 °C
Appearance: White Crystaline Solid
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 26
PSA: 26.30000
LogP: 2.43290
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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