Cas no 81172-89-6 (Terephthaldehyde monodiethylacetal)

Terephthaldehyde monodiethylacetal structure
81172-89-6 structure
Product Name:Terephthaldehyde monodiethylacetal
CAS No:81172-89-6
MF:C12H16O3
MW:208.253643989563
MDL:MFCD00010217
CID:728328
PubChem ID:595993
Update Time:2024-10-27

Terephthaldehyde monodiethylacetal Chemical and Physical Properties

Names and Identifiers

    • 4-(Diethoxymethyl)benzaldehyde
    • Terephthalaldehyde Mono(diethyl Acetal)
    • Benzaldehyde,4-(diethoxymethyl)-
    • terephthalaldehyde diethyl acetal
    • Terephthaldehyde Monodiethylacetal
    • Terephthaldehyde diethyl monoacetal
    • Terephthaldehyde monodiethyl acetal
    • Benzaldehyde, 4-(diethoxymethyl)-
    • Terephthaldehyde mono(diethyl acetal)
    • HTMXMFARWHNJDW-UHFFFAOYSA-N
    • Terephthalaldehyde mono-(diethyl acetal)
    • AK112871
    • Terephthaldehyde monodiethylacetal, 97%, stabilized
    • PubChem22621
    • 4-diethoxymethylbenzaldehyde
    • 4-diethoxymethyl-benzaldehyde
    • 4-(diethoxymethy)benzaldehyde
    • 4-(diethyoxymethyl)benzaldehyde
    • 4-(Diethoxymethyl)benzaldehyde (ACI)
    • 1,4-Benzenedicarboxaldehyde mono(diethyl acetal)
    • 4-[Bis(ethoxy)methyl]benzaldehyde
    • Terephthaldehyde monodiethylacetal
    • MDL： MFCD00010217
    • Inchi： 1S/C12H16O3/c1-3-14-12(15-4-2)11-7-5-10(9-13)6-8-11/h5-9,12H,3-4H2,1-2H3
    • InChI Key： HTMXMFARWHNJDW-UHFFFAOYSA-N
    • SMILES： O=CC1C=CC(C(OCC)OCC)=CC=1
    • BRN： 4293872

Computed Properties

  • Exact Mass: 208.11000
  • Monoisotopic Mass: 208.109944
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 168
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.8
  • Topological Polar Surface Area: 35.5

Experimental Properties

  • Color/Form: Brownish yellow liquid
  • Density: 1.047?g/mL?at 25?°C(lit.)
  • Boiling Point: 290.3±25.0 oC (760 Torr),
  • Flash Point: Degrees Fahrenheit:>235.4°F
    Degrees Celsius:>113°C
  • Refractive Index: n20/D 1.506(lit.)
  • Solubility: Slightly soluble (1 g/l) (25 o C),
  • Water Partition Coefficient: soluble in alcohol, chlorinated solvents and toluene. Decomposes in water.
  • PSA: 35.53000
  • LogP: 2.57070
  • Sensitiveness: Air Sensitive
  • Solubility: Not determined

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Terephthaldehyde monodiethylacetal Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Acetic acid Solvents: Methanol ;  3 h, reflux
Reference
Functionalised Chitosan as a Green, Recyclable, Supported Catalyst for the Copper-Catalysed Ullmann C-N Coupling Reaction in Water
Yang, Bo; et al, Catalysis Communications, 2015, 60, 92-95

Production Method 2

Reaction Conditions
1.1 Catalysts: Tungstate(3-), tetracosa-μ-oxododecaoxo[μ12-[phosphato(3-)-κO:κO:κO:κO′:κO′:κO′:… ;  2 h, rt
Reference
Cascade Synthesis of 2-Cyanoacrylamides through Deacetalization and/or Knoevenagel Condensation followed by Selective Monohydration of Acetals and Aldehydes over Solid Acid Ferrites
Kamble, Sumit B.; et al, ChemCatChem, 2016, 8(16), 2678-2687

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Amadis Chemical Company Limited
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(CAS:81172-89-6)Terephthaldehyde monodiethylacetal
Order Number:A840058
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:48
Price ($):481.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:81172-89-6)對(duì)苯二甲醛縮二乙醛
Order Number:LE2403734
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:37
Price ($):discuss personally

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Amadis Chemical Company Limited
(CAS:81172-89-6)Terephthaldehyde monodiethylacetal
A840058
Purity:99%
Quantity:100g
Price ($):481.0
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:81172-89-6)對(duì)苯二甲醛縮二乙醛
LE2403734
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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