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| CAS No.: | 5973-71-7 |
|---|---|
| Name: | 3,4-Dimethylbenzaldehyde |
| Article Data: | 63 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H10O |
| Molecular Weight: | 134.178 |
| Synonyms: | Benzaldehyde, 3,4-dimethyl-; |
| EINECS: | 227-770-2 |
| Density: | 1.003 g/cm3 |
| Melting Point: | 225-226 °C |
| Boiling Point: | 225.3 °C at 760 mmHg |
| Flash Point: | 97.7 °C |
| Solubility: | Soluble in ethanol, ether, toluene. Insoluble in water. |
| Appearance: | clear colorless to yellowish liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25-36/37-26 |
| PSA: | 17.07000 |
| LogP: | 2.11590 |
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- 5973-71-7
3,4-dimethylbenzaldehyde
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In ethanol at 50℃; for 18h; | 96% |
| With ammonium hydroxide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper(ll) bromide at 80℃; for 20h; | 96% |
| With Iron(III) nitrate nonahydrate; oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 60℃; for 3h; Schlenk technique; Green chemistry; | 96% |
| Conditions | Yield |
|---|---|
| With sodium nitrate; acetic acid In water for 3h; Reflux; | 92% |
| With potassium hydroxide; cetyltrimethylammonim bromide; potassium nitrate In water for 6h; pH=10 - 11; Reflux; | 81% |
A
- 5973-71-7
3,4-dimethylbenzaldehyde
B
- 103-19-5
di(p-tolyl) disulfide
C
- 307929-13-1
3,5-di(3,4-dimethylphenyl)-1,2,4,6-thiatriazine 1-oxide
D
- 22884-95-3
3,4-dimethylbenzonitrile
| Conditions | Yield |
|---|---|
| With tetrasulphure tetranitride In 1,4-dioxane for 7h; Heating; | A n/a B 86% C 22% D n/a |
- 94416-66-7
3,4-dimethylbenzyl bromide
- 5973-71-7
3,4-dimethylbenzaldehyde
| Conditions | Yield |
|---|---|
| With potassium nitrite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In water for 5h; Reflux; | 85% |
| Conditions | Yield |
|---|---|
| Stage #1: o-xylene; N,N,N',N'-tetraformylhydrazine With aluminium trichloride In 1,2-dichloro-ethane at -15 - 1℃; for 19h; Stage #2: With water | A 9% B 77% |
| Conditions | Yield |
|---|---|
| With bis-triphenylphosphine-palladium(II) chloride; formic acid; tetrabutylammonium tetrafluoroborate In N,N-dimethyl-formamide at 60℃; under 760 Torr; Carbonylation; Electrochemical reaction; | 76% |
| Conditions | Yield |
|---|---|
| Stage #1: o-xylene; tris(diformylamino)methane With aluminium trichloride In 1,2-dichloro-ethane at -19 - 0℃; Stage #2: With water Heating; | 65% |
| With aluminium trichloride In 1,2-dichloro-ethane at -19 - -1℃; for 15h; | 42% |
- 95-47-6
o-xylene
- 332047-72-0
tris(diformylamino)methane
A
- 5973-71-7
3,4-dimethylbenzaldehyde
B
- 34101-86-5
3,3',4,4'-tetramethyl-1,2-diphenylethane
| Conditions | Yield |
|---|---|
| With aluminium trichloride In 1,2-dichloro-ethane Product distribution; Further Variations:; reagent amount; | A 64% B 3% |
- 75-77-4
chloro-trimethyl-silane
- 6966-10-5
3,4-dimethylbenzyl alcohol
- 791-28-6
Triphenylphosphine oxide
A
- 5973-71-7
3,4-dimethylbenzaldehyde
B
- 107-46-0
Hexamethyldisiloxane
C
- 603-35-0
triphenylphosphine
| Conditions | Yield |
|---|---|
| With 2,6-dimethylpyridine; tetrabutylammonium tetrafluoroborate In acetonitrile at 40℃; Electrochemical reaction; | A 61% B 10% C 72 %Spectr. |
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Chemistry
Molecule structure of 3,4-Dimethylbenzaldehyde (CAS NO.5973-71-7):
IUPAC Name: 3,4-Dimethylbenzaldehyde
Molecular Weight: 134.1751 g/mol
Molecular Formula: C9H10O
Melting Point: 225-226 °C
Index of Refraction: 1.551
Molar Refractivity: 42.65 cm3
Molar Volume: 133.6 cm3
Surface Tension: 36.1 dyne/cm
Density: 1.003 g/cm3
Flash Point: 97.7 °C
Enthalpy of Vaporization: 46.18 kJ/mol
Boiling Point: 225.3 °C at 760 mmHg
Vapour Pressure: 0.0871 mmHg at 25 °C
Sensitive: air sensitive
XLogP3: 2.7
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 5
Exact Mass: 134.073165
MonoIsotopic Mass: 134.073165
Topological Polar Surface Area: 17.1
Heavy Atom Count: 10
Canonical SMILES: CC1=C(C=C(C=C1)C=O)C
InChI: InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3
InChIKey: POQJHLBMLVTHAU-UHFFFAOYSA-N
EINECS: 227-770-2
Product Categories: Benzene derivatives;Aromatic Aldehydes & Derivatives (substituted);Benzaldehyde;API intermediates;Aldehydes;C9;Carbonyl Compounds
Uses
3,4-Dimethylbenzaldehyde (CAS NO.5973-71-7) is used for the preparation of pharmaceutical intermediates, nucleation transparent agent, spices, etc.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36/37-26
S24/25:Avoid contact with skin and eyes.
S36/37:Wear suitable protective clothing and gloves.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Hazard Note: Irritant
Specification
3,4-Dimethylbenzaldehyde (CAS NO.5973-71-7) is also named as Benzaldehyde, 3,4-dimethyl- . 3,4-Dimethylbenzaldehyde (CAS NO.5973-71-7) is clear colorless to yellowish liquid.