Paraldehyde

Base Information

• Chemical Name: Paraldehyde
• CAS No.: 123-63-7
• Deprecated CAS: 51289-71-5
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• Hs Code.: 2912500090
• European Community (EC) Number: 204-639-8
• ICSC Number: 1042
• NSC Number: 9799
• UN Number: 1264
• UNII: S6M3YBG8QA
• DSSTox Substance ID: DTXSID9023419,DTXSID301271154
• Nikkaji Number: J5.543C
• Wikipedia: Paraldehyde
• Wikidata: Q424342
• Metabolomics Workbench ID: 45540
• ChEMBL ID: CHEMBL1410743
• Mol file: 123-63-7.mol

Synonyms:Paraldehyde

Chemical Property of Paraldehyde

Chemical Property:

• Appearance/Colour: Colourless to yellowish clear liquid
• Vapor Pressure: 0.0544mmHg at 25°C
• Melting Point: 12 °C
• Refractive Index: n20/D 1.39
• Boiling Point: 124 °C at 760 mmHg
• Flash Point: 39.2 °C
• PSA: 27.69000
• Density: 0.946 g/cm³
• LogP: 1.08780
• Water Solubility.: 125 g/L (25℃)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 63.3
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F:Flammable
• Statements: R11:
• Safety Statements: S16:; S29:; S33:; S9:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CC1OC(OC(O1)C)C
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system.
• Effects of Long Term Exposure: The substance may have effects on the nervous system. This may result in addiction. The substance may have effects on the kidneys and liver. This may result in impaired functions.

Technology Process of Paraldehyde

There total 65 articles about Paraldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

acetaldehyde (75-07-0,9002-91-9) → paracetaldehyde (123-63-7)

Guidance literature:

With [P(2-pyridyl)3W(CO)(NO)2]⁽²⁺⁾(BF₄^(1-))2; at 20 ℃; for 24h;

DOI:10.1016/S0040-4039(01)02323-1

Reference yield:

ethanol (64-17-5) + acetaldehyde (75-07-0,9002-91-9) → diethyl acetal (105-57-7,30846-29-8) + (E/Z)-2-buten-1-ol (6117-91-5,542-72-3) + acetaldol (107-89-1) + ethyl acetate (141-78-6) + paracetaldehyde (123-63-7) + crotonaldehyde (123-73-9,4170-30-3)

Guidance literature:

With CO₂-loaded faujasite zeolite NaY; at 230 ℃; for 6h; under 15514.9 Torr; Reagent/catalyst; Inert atmosphere; Autoclave;

DOI:10.1016/j.apcata.2014.11.018

Reference yield:

ethanol (64-17-5) + acetaldehyde (75-07-0,9002-91-9) → paracetaldehyde (123-63-7) + 2.3-butanediol (513-85-9)

Guidance literature:

bei der Belichtung;

upstream raw materials:

metaldehyde

ethyl hypochlorite

ethanol

ethyl iodide

Downstream raw materials:

2-ethyl-1H-pyrrole

2-vinylthiophene

α-picoline

5-ethyl-2-methyl-pyridine