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Cas Database |
| Name |
4-Acetoxybenzaldehyde |
EINECS | 212-898-3 |
| CAS No. | 878-00-2 | Density | 1.168 |
| PSA | 43.37000 | LogP | 1.42440 |
| Solubility | N/A | Melting Point |
213 °C |
| Formula | C9H8 O3 | Boiling Point | 275 ºC at 760 mmHg |
| Molecular Weight | 164.161 | Flash Point | 113 ºC |
| Transport Information | N/A | Appearance | Clear colorless to pale yellow liquid |
| Safety | 36/37/38 | Risk Codes | R36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
Benzaldehyde,p-hydroxy-, acetate (6CI,7CI,8CI); 4-(Acetyloxy)benzaldehyde;4-Acetoxybenzaldehyde; 4-Formylphenyl acetate; Acetic acid 4-formylphenylester; NSC 40537; p-Acetoxybenzaldehyde; p-Hydroxybenzaldehyde acetate |
Article Data | 117 |
4-Acetoxybenzaldehyde Synthetic route
| Conditions | Yield |
|---|---|
| With pyridine; aluminum oxide at 100 - 102℃; for 4h; microwave irradiation; | 100% |
| With pyridine at 20℃; for 16h; | 100% |
| With potassium carbonate In dichloromethane at 20℃; for 2h; Time; | 96.73% |
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran at 0 - 20℃; Inert atmosphere; | 100% |
| With triethylamine In ethyl acetate at 0 - 20℃; for 5h; Inert atmosphere; | 100% |
| With triethylamine In dichloromethane at 0℃; for 0.5h; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| With aluminum oxide at 35℃; for 0.00833333h; microwave irradiation; | 98% |
| With cerium(IV) ammonium nitrate supported on silica In dichloromethane for 0.25h; | 98% |
| With N,N'-dibromo-N,N'-(1,2-ethanediyl)bis(p-toluenesulfonamide); water at 20℃; for 0.025h; solid-phase reaction; | 98% |
- 150372-43-3
2-<4-(acetoxy)phenyl>-1,3-dithiolane
- 878-00-2
4-formylphenyl acetate
| Conditions | Yield |
|---|---|
| With bismuth(III) nitrate; water In benzene at 20℃; for 4h; | 98% |
| Stage #1: 2-<4-(acetoxy)phenyl>-1,3-dithiolane In ethanol at 20℃; Stage #2: With water In ethanol at 20℃; | 93% |
- 123-08-0
4-hydroxy-benzaldehyde
- 155164-63-9
2-acetyl-4,5-dichloropyridazin-3(2H)-one
- 878-00-2
4-formylphenyl acetate
| Conditions | Yield |
|---|---|
| Stage #1: 4-hydroxy-benzaldehyde With aluminum (III) chloride In tetrahydrofuran for 0.0166667h; Stage #2: 2-acetyl-4,5-dichloropyridazin-3(2H)-one In tetrahydrofuran at 20℃; for 0.5h; | 98% |
| In neat (no solvent) at 100℃; for 0.0833333h; Sealed tube; Green chemistry; | 97% |
| In tetrahydrofuran at 150℃; under 10336 Torr; for 0.0833333h; Microwave irradiation; | 90% |
- 878-00-2
4-formylphenyl acetate
| Conditions | Yield |
|---|---|
| Stage #1: 4-(1,3-oxathiolan-2-yl)phenyl acetate In ethanol at 20℃; Stage #2: With water In ethanol at 20℃; | 97% |
| With eosin Y disodium salt In acetonitrile at 20℃; for 3h; Irradiation; | 91% |
| With cerium(III) chloride; sodium iodide In acetonitrile for 3.5h; Heating; | 85% |
| With ammonium bromide; dihydrogen peroxide; vanadia In dichloromethane at 0 - 5℃; for 1h; | 84% |
| Stage #1: 4-(1,3-oxathiolan-2-yl)phenyl acetate With acetyl chloride; sodium nitrite In dichloromethane at 0 - 5℃; for 0.166667h; Stage #2: With water In dichloromethane at 0 - 5℃; for 0.25h; | 82% |
| Conditions | Yield |
|---|---|
| With laccase; 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt In tetrahydrofuran; water at 40℃; for 24h; | 92% |
| With pyridinium chlorochromate In dichloromethane at 20℃; for 4h; | 84% |
| With phosphoric acid In water; toluene at 25℃; under 760.051 Torr; for 24h; pH=3.4; Irradiation; Inert atmosphere; Sealed tube; | 84 %Spectr. |
- 195054-29-6
2-[4'-acetoxyphenyl]-1,3-dithiane
- 878-00-2
4-formylphenyl acetate
| Conditions | Yield |
|---|---|
| With bismuth(III) nitrate; water In benzene at 20℃; for 2h; | 92% |
| Stage #1: 2-[4'-acetoxyphenyl]-1,3-dithiane With acetyl chloride; sodium nitrite In dichloromethane at 0 - 5℃; for 0.25h; Stage #2: With water In dichloromethane at 0 - 20℃; for 3.5h; | 85% |
| Conditions | Yield |
|---|---|
| With sodium hydrogen sulfate; PEG-2000 at 70℃; for 0.3h; | 92% |
- 878-00-2
4-formylphenyl acetate
| Conditions | Yield |
|---|---|
| Stage #1: 4-(isopropylcarbamoyl)phenyl acetate With 2-fluoropyridine; trifluoromethylsulfonic anhydride In dichloromethane at 0℃; for 0.333333h; Inert atmosphere; Stage #2: With 1,1,3,3-Tetramethyldisiloxane In dichloromethane at 0 - 20℃; for 6.16667h; Inert atmosphere; Stage #3: With hydrogenchloride In dichloromethane; water at 20℃; Inert atmosphere; | 86% |
4-Acetoxybenzaldehyde Chemical Properties
Product Name: Benzaldehyde,4-(acetyloxy)- (CAS NO.878-00-2)
Molecular Formula: C9H8O3
Molecular Weight: 164.16g/mol
Mol File: 878-00-2.mol
EINECS: 212-898-3
Appearance: Clear colorless to pale yellow liquid
Sensitive: Air Sensitive
Index of Refraction: 1.552
Molar Refractivity: 44.34 cm3
Molar Volume: 138.7 cm3
Surface Tension: 42.3 dyne/cm
Density: 1.183 g/cm3
Flash Point: 119.4 °C
Enthalpy of Vaporization: 51.35 kJ/mol
Boiling Point: 275 °C at 760 mmHg
Vapour Pressure: 0.00522 mmHg at 25°C
XLogP3-AA: 0.6
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Benzaldehyde,4-(acetyloxy)- (CAS NO.878-00-2):
IUPAC Name: (4-formylphenyl) acetate
Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C=O
InChI: InChI=1S/C9H8O3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-6H,1H3
InChIKey: SEVSMVUOKAMPDO-UHFFFAOYSA-N
Product Categories: Aromatic Aldehydes & Derivatives (substituted);Benzaldehyde (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Aromatic Building Blocks
4-Acetoxybenzaldehyde Safety Profile
Safety Information of Benzaldehyde,4-(acetyloxy)- (CAS NO.878-00-2):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
TSCA: T
HazardClass: IRRITANT
4-Acetoxybenzaldehyde Specification
Benzaldehyde,4-(acetyloxy)- , its CAS NO. is 878-00-2, the synonyms are 4-Acetoxybenzaldehyde ; Benzaldehyde, 4-(acetyloxy)- ; Benzaldehyde, p-hydroxy-, acetate ; p-Acetoxybenzaldehyde ; p-Hydroxybenzaldehyde acetate .
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