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878-00-2

Basic Information
CAS No.: 878-00-2
Name: 4-ACETOXYBENZALDEHYDE
Article Data: 117
Molecular Structure:
Molecular Structure of 878-00-2 (4-ACETOXYBENZALDEHYDE)
Formula: C9H8 O3
Molecular Weight: 164.161
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
EINECS: 212-898-3
Density: 1.168
Melting Point: 213 °C
Boiling Point: 275 ºC at 760 mmHg
Flash Point: 113 ºC
Appearance: Clear colorless to pale yellow liquid
Hazard Symbols:
Risk Codes: R36/37/38   
Safety: 36/37/38
PSA: 43.37000
LogP: 1.42440
Synthetic route
108-24-7

acetic anhydride

123-08-0

4-hydroxy-benzaldehyde

878-00-2

4-formylphenyl acetate

Conditions
ConditionsYield
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%
123-08-0

4-hydroxy-benzaldehyde

75-36-5

acetyl chloride

878-00-2

4-formylphenyl acetate

Conditions
ConditionsYield
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%
7143-16-0

acetyloxy(4-acetyloxyphenyl)methyl acetate

878-00-2

4-formylphenyl acetate

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%

4-(1,3-oxathiolan-2-yl)phenyl acetate

878-00-2

4-formylphenyl acetate

Conditions
ConditionsYield
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%
6309-46-2

4-acetoxybenzyl alcohol

878-00-2

4-formylphenyl acetate

Conditions
ConditionsYield
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
ConditionsYield
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%
634-20-8

1,1-diacetoxy-1-(2-acetoxyphenyl)methane

878-00-2

4-formylphenyl acetate

Conditions
ConditionsYield
With sodium hydrogen sulfate; PEG-2000 at 70℃; for 0.3h;92%

4-(isopropylcarbamoyl)phenyl acetate

878-00-2

4-formylphenyl acetate

Conditions
ConditionsYield
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%
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    Product Name: 4-ACETOXYBENZALDEHYDE CAS: 878-00-2 MF: C9H8O3 MW: 164.16 EINECS: 212-898-3 Mol File: 878-00-2.mol 4-ACETOXYBENZALDEHYDE Structure 4-ACETOXYBENZALDEHYDE Chemical Properties Melting point 213 °C Boiling point

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Chemistry

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

Safety Profile

Safety Information of Benzaldehyde,4-(acetyloxy)- (CAS NO.878-00-2):
Hazard Codes: XiIrritant
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

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 .