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CAS No.: | 57295-30-4 |
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Name: | 3-HYDROXY-4-METHYL-BENZALDEHYDE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C8H8O2 |
Molecular Weight: | 136.15 |
Synonyms: | 3-Hydroxy-4-methylbenzaldehyde;3,4-Cresotaldehyde(7CI); |
Density: | 1.175 g/cm3 |
Melting Point: | 73-74 °C |
Boiling Point: | 252.4 °C at 760mmHg |
Flash Point: | 104.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 37.30000 |
LogP: | 1.51310 |
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The Benzaldehyde,3-hydroxy-4-methyl- is an organic compound with the formula C8H8O2. Its CAS registry number is 57295-30-4. The IUPAC name of this chemical is 3-Hydroxy-4-methylbenzaldehyde. In addition, the molecular weight is 136.15. It belongs to the product category of Aromatic Aldehydes & Derivatives (substituted).
Physical properties about Benzaldehyde,3-hydroxy-4-methyl- are: (1)ACD/LogP: 1.71; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.74; (6)ACD/BCF (pH 7.4): 11.67; (7)ACD/KOC (pH 5.5): 202.95; (8)ACD/KOC (pH 7.4): 201.66; (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: 15.74×10-24 cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 104.1 °C; (20)Enthalpy of Vaporization: 50.96 kJ/mol; (21)Boiling Point: 252.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0121 mmHg at 25 °C.
Uses of Benzaldehyde,3-hydroxy-4-methyl-: it can be used to produce other chemicals. For example, it is used to produce 3-benzoyloxy-4-methylbenzaldehyd with benzoyl chloride. The reaction occurs with reagent 5N aq. NaOH and solvent diethyl ether. The yield is 86 %. The reaction equation is as followed:
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(O)c(cc1)C
(2) InChI: InChI=1/C8H8O2/c1-6-2-3-7(5-9)4-8(6)10/h2-5,10H,1H3
(3) InChIKey: DHVJHJQBQKKPNB-UHFFFAOYAT