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CAS No.: | 90111-15-2 |
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Name: | 3-hydroxy-2-methylbenzaldehyde |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H8O2 |
Molecular Weight: | 136.15 |
Synonyms: | 2-methyl-3-hydroxybenzaldehyde;3-Hydroxy-2-methyl-benzaldehyd;o-cresol-formaldehyde; |
Density: | 1.175 g/cm3 |
Boiling Point: | 250.6 °C at 760 mmHg |
Flash Point: | 103.3 °C |
PSA: | 37.30000 |
LogP: | 1.51310 |
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The CAS registry number of Benzaldehyde, 3-hydroxy-2-methyl- is 90111-15-2. The systematic name is 3-hydroxy-2-methylbenzaldehyde. In addition, the molecular formula is C8H8O2 and the molecular weight is 136.05. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about Benzaldehyde, 3-hydroxy-2-methyl- are: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): 1.71; (3)ACD/LogD (pH 7.4): 1.71; (4)ACD/BCF (pH 5.5): 11.74; (5)ACD/BCF (pH 7.4): 11.67; (6)ACD/KOC (pH 5.5): 202.95; (7)ACD/KOC (pH 7.4): 201.66; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 39.71 cm3; (14)Molar Volume: 115.8 cm3; (15)Polarizability: 15.74 ×10-24cm3; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.175 g/cm3; (18)Flash Point: 103.3 °C; (19)Enthalpy of Vaporization: 50.77 kJ/mol; (20)Boiling Point: 250.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0135 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cccc(O)c1C
(2)Std. InChI: InChI=1S/C8H8O2/c1-6-7(5-9)3-2-4-8(6)10/h2-5,10H,1H3
(3)Std. InChIKey: ZRYCRPNCXLQHPN-UHFFFAOYSA-N