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2-Methoxy-6-methylbenzaldehyde

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Name

2-Methoxy-6-methylbenzaldehyde

EINECS N/A
CAS No. 54884-55-8 Density 1.062 g/cm3
PSA 26.30000 LogP 1.81610
Solubility N/A Melting Point 40-41℃
Formula C9H10O2 Boiling Point 256.3 °C at 760 mmHg
Molecular Weight 150.177 Flash Point 113.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 54884-55-8 (2-Methoxy-6-methylbenzaldehyde) Hazard Symbols N/A
Synonyms

Benzaldehyde, 2-methoxy-6-methyl-;

Article Data 13

2-Methoxy-6-methylbenzaldehyde Specification

The systematic name of this chemical is 2-Methoxy-6-methylbenzaldehyde. With the CAS registry number 54884-55-8, it is also known as Benzaldehyde, 2-methoxy-6-methyl-.  In addition, its molecular formula is C9H10O2 and molecular weight is 150.17.

Physical properties about the 2-Methoxy-6-methylbenzaldehyde are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 26.5; (6)ACD/BCF (pH 7.4): 26.5; (7)ACD/KOC (pH 5.5): 363.43; (8)ACD/KOC (pH 7.4): 363.43; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 44.5 cm3; (15)Molar Volume: 141.3 cm3; (16)Surface Tension: 36.1 dyne/cm; (17)Density: 1.062 g/cm3; (18)Flash Point: 113.2 °C; (19)Enthalpy of Vaporization: 49.38 kJ/mol; (20)Boiling Point: 256.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0155 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1c(cccc1OC)C
(2) InChI: InChI=1/C9H10O2/c1-7-4-3-5-9(11-2)8(7)6-10/h3-6H,1-2H3
(3) InChIKey: QLUHWZADTAIBKK-UHFFFAOYAV

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