360481

1,4-Dioxane

ACS reagent, ≥99.0%, contains ≤25 ppm BHT as stabilizer

• Synonym(s): Diethylene oxide, Dioxane
• Empirical Formula (Hill Notation): C₄H₈O₂
• CAS Number: 123-91-1
• Molecular Weight: 88.11
• Beilstein: 102551
• EC Number: 204-661-8
• MDL number: MFCD00006571
• UNSPSC Code: 12352005
• PubChem Substance ID: 329755260
• NACRES: NA.21
• Grade: ACS reagent
• Assay: ≥99.0%
• Bp: 100-102 °C (lit.)
• Vapor pressure: 27 mmHg ( 20 °C); 40 mmHg ( 25 °C)

Properties

• grade: ACS reagent
• Quality Level: 200
• vapor density: 3 (vs air)
• vapor pressure: 27 mmHg ( 20 °C); 40 mmHg ( 25 °C)
• Assay: ≥99.0%
• form: liquid
• autoignition temp.: 356 °F
• contains: ≤25 ppm BHT as stabilizer
• expl. lim.: 22 %
• dilution: (for analytical testing)
• impurities: ≤0.0016 meq/g Titr. acid; ≤0.005% Peroxide (as H₂O₂); ≤0.01% Carbonyl (as HCHO); ≤0.05% water
• evapn. residue: ≤0.005%
• color: APHA: ≤20
• refractive index: n20/D 1.422 (lit.)
• pH: 6.0-8 (20 °C, 500 g/L)
• bp: 100-102 °C (lit.)
• mp: 10-12 °C (lit.)
• transition temp: freezing point ≥11.0
• density: 1.034 g/mL at 25 °C (lit.)
• SMILES string: C1COCCO1
• InChI: 1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
• InChI key: RYHBNJHYFVUHQT-UHFFFAOYSA-N

Description

General description

1,4-Dioxane is a heterocyclic organic compound that is commonly used as a solvent in several chemical reactions. It is also used as a stabilizer in chlorinated solvents.

Application

1,4-Dioxane can be used as:      

• A solvent in the N-methylation of amines by reductive functionalization of CO₂ in the presence of NaBH₄ as the reducing reagent.      
• An additive to synthesize 3-hydroxylisoindolin-1-ones via hydroxylhydrative aza-cyclization of 2-alkynylbenzamide.

A mixture of 1,4-dioxane/ethanol/formic acid solvent system can be used in the depolymerization of lignin to synthesize value-added phenolic monomers.

Safety Information

• Pictograms: GHS02,GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H319,H335,H350
• Precautionary Statements: P202 - P210 - P233 - P240 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Carc. 1B - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• Target Organs: Respiratory system
• Supplementary Hazards: EUH019,EUH066
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 51.8 °F - closed cup
• Flash Point(C): 11 °C - closed cup