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| CAS No.: | 824-42-0 |
|---|---|
| Name: | 2-HYDROXY-3-METHYLBENZALDEHYDE |
| Molecular Structure: | |
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| Formula: | C8H8O2 |
| Molecular Weight: | 136.15 |
| Synonyms: | 2,3-Cresotaldehyde(6CI,7CI,8CI);2-Hydroxy-3-methylbenzaldehyde;2-Hydroxy-m-tolualdehyde;3-Methylsalicylaldehyde;o-Homosalicylaldehyde;2-hydroxy-3-methylbenzaldehyde;2-Hydroxy-3-methylbenzaldehyde; |
| Density: | 1.175 g/cm3 |
| Melting Point: | 17°C(lit.) |
| Boiling Point: | 207.9 °C at 760 mmHg |
| Flash Point: | 82.3 °C |
| Appearance: | COLORLESS TO YELLOW LIQUID |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 37.30000 |
| LogP: | 1.51310 |
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Specification
The Benzaldehyde, 2-hydroxy-3-methyl-, with the CAS registry number 824-42-0, has the systematic name and IUPAC name of 2-hydroxy-3-methylbenzaldehyde. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted). And the molecular formula of the chemical is C8H8O2.
The characteristics of Benzaldehyde, 2-hydroxy-3-methyl- are as followings: (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): 2.04; (5)ACD/BCF (pH 5.5): 21.93; (6)ACD/BCF (pH 7.4): 20.4; (7)ACD/KOC (pH 5.5): 317.21; (8)ACD/KOC (pH 7.4): 295.08; (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: 82.3 °C; (20)Enthalpy of Vaporization: 46.23 kJ/mol; (21)Boiling Point: 207.9 °C at 760 mmHg; (22)Vapour Pressure: 0.152 mmHg at 25°C.
Preparation of Benzaldehyde, 2-hydroxy-3-methyl-: This chemical can be prepared by 2-methyl-phenol and formaldehyde. The reaction will need reagent Et3N and montmorillonite KSF, and the menstruum toluene. The reaction time is 4 hours with temperature of 100°C, and the yield is about 60%.
Uses of Benzaldehyde, 2-hydroxy-3-methyl-: It can react with 3-methyl-but-2-enoic acid ethyl ester to produce 2,2,8-Trimethyl-2H-1-benzopyran. This reaction will need reagent potassium carbonate, and the menstruum dimethylformamide. The reaction time is 8 hours with temperature of 130°C, and the yield is about 44%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cccc(c1O)C
(2)InChI: InChI=1/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H3
(3)InChIKey: IPPQNXSAJZOTJZ-UHFFFAOYAC