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3-Ethoxy-4-methoxybenzaldehyde

  • Name 3-Ethoxy-4-methoxybenzaldehyde
  • EINECS642-869-4
  • CAS No. 1131-52-8
  • Density1.088 g/cm3
  • PSA35.53000
  • LogP1.90640
  • SolubilityN/A
  • Melting Point51 °C
  • FormulaC10H12O3
  • Boiling Point289.4 °C at 760 mmHg
  • Molecular Weight180.203
  • Flash Point119.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety23-24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 1131-52-8 (3-Ethoxy-4-methoxybenzaldehyde)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data28

3-Ethoxy-4-methoxybenzaldehyde Synthetic route

621-59-0

isovanillin

74-96-4

ethyl bromide

1131-52-8

3-ethoxy-4-methoxybenzaldehyde

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride; sodium hydroxide In water at 25℃; for 4h; Reagent/catalyst;96.1%
121-32-4

4-hydroxy-3-ethoxybenzaldehyde

75-57-0

tetramethlyammonium chloride

1131-52-8

3-ethoxy-4-methoxybenzaldehyde

Conditions
ConditionsYield
With caesium carbonate In 1,2-dimethoxyethane at 145℃; for 1h; Microwave irradiation; Inert atmosphere; Sealed vessel;96%
With potassium carbonate at 150 - 160℃; for 6h;75%
621-59-0

isovanillin

64-67-5

diethyl sulfate

1131-52-8

3-ethoxy-4-methoxybenzaldehyde

Conditions
ConditionsYield
With sodium hydroxide
With potassium hydroxide
92-42-2

4-methoxy-3-ethoxy-1-trans-propenyl-benzene

1131-52-8

3-ethoxy-4-methoxybenzaldehyde

Conditions
ConditionsYield
With potassium dichromate; sulfuric acid at 50℃;
With dihydrogen peroxide; iron(II) sulfate
621-59-0

isovanillin

75-03-6

ethyl iodide

1131-52-8

3-ethoxy-4-methoxybenzaldehyde

Conditions
ConditionsYield
With sodium hydroxide
121-32-4

4-hydroxy-3-ethoxybenzaldehyde

77-78-1

dimethyl sulfate

1131-52-8

3-ethoxy-4-methoxybenzaldehyde

Conditions
ConditionsYield
With sodium hydroxide
121-32-4

4-hydroxy-3-ethoxybenzaldehyde

74-88-4

methyl iodide

1131-52-8

3-ethoxy-4-methoxybenzaldehyde

Conditions
ConditionsYield
With ethanol
Stage #1: 4-hydroxy-3-ethoxybenzaldehyde With potassium hydroxide In methanol; water
Stage #2: methyl iodide In methanol; water for 3h; Reflux;
With potassium carbonate In N,N-dimethyl-formamide at 0 - 5℃; for 2h; Solvent; Temperature;
Stage #1: 4-hydroxy-3-ethoxybenzaldehyde With sodium hydride In N,N-dimethyl-formamide at 0℃;
Stage #2: methyl iodide at 20℃;
74-88-4

methyl iodide

potassium-salt of 4-hydroxy-3-ethoxy-benzaldehyde

potassium-salt of 4-hydroxy-3-ethoxy-benzaldehyde

1131-52-8

3-ethoxy-4-methoxybenzaldehyde

Conditions
ConditionsYield
With ethanol
621-59-0

isovanillin

toluene-sulfonic acid-(4)-ethyl ester

toluene-sulfonic acid-(4)-ethyl ester

1131-52-8

3-ethoxy-4-methoxybenzaldehyde

Conditions
ConditionsYield
With potassium hydroxide
92-42-2

4-methoxy-3-ethoxy-1-trans-propenyl-benzene

7722-84-1

dihydrogen peroxide

FeSO2

FeSO2

1131-52-8

3-ethoxy-4-methoxybenzaldehyde

3-Ethoxy-4-methoxybenzaldehyde Specification

The 3-Ethoxy-4-methoxybenzaldehyde is an organic compound with the formula C10H12O3. The IUPAC name of this chemical is 3-ethoxy-4-methoxybenzaldehyde. With the CAS registry number 1131-52-8, it is also named as Benzaldehyde, 3-ethoxy-4-methoxy-. The product's category is Aromatic Aldehydes & Derivatives (substituted). Besides, it should be stored in a closed cool and dry place.

Physical properties about 3-Ethoxy-4-methoxybenzaldehyde are: (1)ACD/LogP: 2.14; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 35.53 Å2; (5)Index of Refraction: 1.528; (6)Molar Refractivity: 50.99 cm3; (7)Molar Volume: 165.6 cm3; (8)Polarizability: 20.21×10-24cm3; (9)Surface Tension: 35.9 dyne/cm; (10)Density: 1.088 g/cm3; (11)Flash Point: 119.6 °C; (12)Enthalpy of Vaporization: 52.87 kJ/mol; (13)Boiling Point: 289.4 °C at 760 mmHg; (14)Vapour Pressure: 0.0022 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(OCC)c(OC)cc1
(2)InChI: InChI=1/C10H12O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7H,3H2,1-2H3
(3)InChIKey: VAMZHXWLGRQSJS-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H12O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7H,3H2,1-2H3
(5)Std. InChIKey: VAMZHXWLGRQSJS-UHFFFAOYSA-N

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