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| CAS No.: | 18362-36-2 |
|---|---|
| Name: | 6-Methylsalicylaldehyde |
| Article Data: | 32 |
| Molecular Structure: | |
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| Formula: | C8H8O2 |
| Molecular Weight: | 136.15 |
| Synonyms: | 2-Hydroxy-6-methylbenzaldehyde;Benzaldehyde, 2-hydroxy-6-methyl-; |
| Density: | 1.175 g/cm3 |
| Melting Point: | 32.3°C |
| Boiling Point: | 217.8 °C at 760 mmHg |
| Flash Point: | 87.2 °C |
| PSA: | 37.30000 |
| LogP: | 1.51310 |
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Specification
The 6-Methylsalicylaldehyde, with CAS registry number 18362-36-2, has the systematic name of 2-hydroxy-6-methylbenzaldehyde. Besides this, it is also called benzaldehyde, 2-hydroxy-6-methyl-. In addition, the chemical formula of this chemical is C8H8O2 and the the molecular weight is 136.15. And it should be stored in a cool and dry place.
Physical properties of 6-Methylsalicylaldehyde are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 21.91; (6)ACD/BCF (pH 7.4): 19.41; (7)ACD/KOC (pH 5.5): 316.99; (8)ACD/KOC (pH 7.4): 280.76; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 39.71 cm3; (15)Molar Volume: 115.8 cm3; (16)Polarizability: 15.74×10-24cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 87.2 °C; (20)Enthalpy of Vaporization: 47.27 kJ/mol; (21)Boiling Point: 217.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0885 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(cccc1O)C
(2)Std. InChI: InChI=1S/C8H8O2/c1-6-3-2-4-8(10)7(6)5-9/h2-5,10H,1H3
(3)Std. InChIKey: ZRUOTKQBVMWMDK-UHFFFAOYSA-N