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Cas Database |
| Name |
2-Methylbenzaldehyde |
EINECS | 208-452-2 |
| CAS No. | 529-20-4 | Density | 1.023 g/cm3 |
| PSA | 17.07000 | LogP | 1.80750 |
| Solubility | slightly soluble in water | Melting Point |
-35 °C |
| Formula | C8H8O | Boiling Point | 201 °C at 760 mmHg |
| Molecular Weight | 120.151 | Flash Point | 79.5 °C |
| Transport Information | N/A | Appearance | clear colorless to yellow liquid |
| Safety | 26-39-37/39 | Risk Codes | 22-37/38-41-36/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
o-Tolualdehyde(8CI);2-Formyltoluene;2-Tolualdehyde;NSC 103152;o-Methylbenzaldehyde;o-Toluic aldehyde;o-Tolylaldehyde; |
Article Data | 549 |
2-Methylbenzaldehyde Synthetic route
| Conditions | Yield |
|---|---|
| With iodosylbenzene; Cl-CH2-PS supported 5-amino-1,10-phenanthroline-Ru In acetonitrile at 60℃; for 2h; | 100% |
| With Oxone; [Mn(NO3)2(2,3,5,6-tetra(2-pyridyl)pyrazine)(H2O)]; tetrabutylammomium bromide In dichloromethane at 20℃; Catalytic behavior; Reagent/catalyst; | 100% |
| With sym-collidinium chlorochromate; periodic acid In acetonitrile at 20℃; for 0.166667h; Time; Solvent; | 100% |
- 80515-66-8
2-methylbenzyl trimethylsilyl ether
- 529-20-4
2-methylphenyl aldehyde
| Conditions | Yield |
|---|---|
| With nitrogen dioxide at 20℃; for 0.0833333h; | 100% |
| With allyltriphenylphopsphonium peroxodisulfate In acetonitrile for 0.25h; Heating; | 98% |
| With trinitratocerium(IV) bromate for 0.33h; Heating; | 96% |
- 31675-37-3
2-diacetoxymethyltoluene
- 529-20-4
2-methylphenyl aldehyde
| Conditions | Yield |
|---|---|
| With sulphated zirconia In acetonitrile at 60℃; for 0.45h; Microwave irradiation; | 100% |
| With rice husk supported FeCl3 nanoparticles In ethanol at 70℃; for 0.25h; | 96% |
| With indium(III) bromide In water for 0.333333h; Heating; | 94% |
- 14683-79-5
salicylaldoxime
- 529-20-4
2-methylphenyl aldehyde
| Conditions | Yield |
|---|---|
| With water; 2-nitro-4,5-dichloropyridazin-3(2H)-one In methanol at 150℃; under 10336 Torr; for 0.166667h; Microwave irradiation; | 98% |
| With potassium permanganate; 1-n-butyl-3-methylimidazolim bromide at 20℃; for 0.683333h; Ionic liquid; chemoselective reaction; | 95% |
| With KMnO4/alumina at 50℃; for 0.666667h; | 90% |
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide at 20℃; for 0.05h; Microwave irradiation; | 97% |
| With 4-methylmorpholine N-oxide; 1-ethyl-3-methyl-1H-imidazol-3-ium chloride; potassium iodide at 100℃; for 0.0333333h; Microwave irradiation; Ionic liquid; | 92% |
| With 4-methylmorpholine N-oxide In tetrahydrofuran at 20℃; for 15h; Reflux; | 75% |
- 67810-92-8
2-(2-methylphenyl)-1,3-dithiolane
- 529-20-4
2-methylphenyl aldehyde
| Conditions | Yield |
|---|---|
| With silica gel; ferric nitrate In hexane at 50℃; for 0.166667h; | 97% |
| With indium (III) iodide; dihydrogen peroxide In water; toluene at 20℃; for 15h; Inert atmosphere; Sealed tube; | 86 mg |
- 59473-50-6
o-MeC6H4CHNNHC6H5
- 529-20-4
2-methylphenyl aldehyde
| Conditions | Yield |
|---|---|
| With water; silica gel; bis(trimethylsilyl)chromate In chloroform for 0.3h; Heating; | 97% |
| With cetyltrimethylammonium peroxodisulphate In acetonitrile for 0.416667h; Reflux; | 94% |
| Conditions | Yield |
|---|---|
| With iron; acetic acid; nickel dichloride In methanol; water for 0.666667h; Heating; | 95% |
| With iron; acetic acid; nickel dichloride In methanol; water for 0.666667h; Product distribution; Heating; | 95% |
| With formic acid; platinum(IV) oxide In water at 55 - 60℃; for 3h; | 90% |
- 64380-54-7
2-(2-methylphenyl)-1,3-dioxolane
- 529-20-4
2-methylphenyl aldehyde
| Conditions | Yield |
|---|---|
| With caro's acid; silica gel In acetonitrile at 20℃; for 0.333333h; | 95% |
| With hydrogenchloride; acetone at 20℃; for 0.5h; | 11.5 g |
| With hydrogenchloride; water In tetrahydrofuran for 2.5h; |
- 22978-34-3
(2-methyl-phenyl)-(morpholin-4-yl)methanone
- 529-20-4
2-methylphenyl aldehyde
| Conditions | Yield |
|---|---|
| With zirconocene dichloride; lithium tri-t-butoxyaluminum hydride In tetrahydrofuran at 20℃; for 0.0333333h; Inert atmosphere; | 95% |
| Stage #1: (2-methyl-phenyl)-(morpholin-4-yl)methanone With 2,6-di-tert-butyl-4-methylpyridine; trifluoromethanesulfonic acid ethyl ester In dichloromethane at 20℃; for 2h; Inert atmosphere; Stage #2: With lithium tri-t-butoxyaluminum hydride In tetrahydrofuran; dichloromethane at -78℃; for 4h; Inert atmosphere; | 83% |
2-Methylbenzaldehyde Specification
The Benzaldehyde, 2-methyl- is an organic compound with the formula C8H8O. The IUPAC name of this chemical is 2-methylbenzaldehyde. With the CAS registry number 529-20-4, it is also named as o-Methylbenzaldehyde. The product's categories are Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. Besides, it is a clear colorless to yellow liquid, which should be stored in cool dry and ventilated place.
Physical properties about Benzaldehyde, 2-methyl- are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.1; (4)ACD/BCF (pH 5.5): 23.23; (5)ACD/BCF (pH 7.4): 23.23; (6)ACD/KOC (pH 5.5): 330.69; (7)ACD/KOC (pH 7.4): 330.69; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 37.83 cm3; (13)Molar Volume: 117.3 cm3; (14)Polarizability: 14.99×10-24cm3; (15)Surface Tension: 37.2 dyne/cm; (16)Density: 1.023 g/cm3; (17)Flash Point: 79.5 °C; (18)Enthalpy of Vaporization: 43.72 kJ/mol; (19)Boiling Point: 201 °C at 760 mmHg; (20)Vapour Pressure: 0.315 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-methyl-benzoic acid. This reaction will need reagent ThxBHO-i-Pr and solvent tetrahydrofuran. The reaction temperature is 25 °C.
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Uses of Benzaldehyde, 2-methyl-: it can be used to produce 2-methyl-benzaldehyde diethylacηl at temperature of 40 °C. It will need reagent 2,4,4,6-tetrabromo-2,5-cyclohexadienone and solvent ethanol with reaction time of 12 min. The yield is about 94%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and risk of serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1C=O
(2)InChI: InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
(3)InChIKey: BTFQKIATRPGRBS-UHFFFAOYSA-N
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