8.21189

1,3,5-Trioxane

for synthesis

• Synonym(s): 1,3,5-Trioxane
• Empirical Formula (Hill Notation): C₃H₆O₃
• CAS Number: 110-88-3
• Molecular Weight: 90.08
• UNSPSC Code: 12352005
• EC Index Number: 203-812-5
• NACRES: NA.22
• MDL number: MFCD00006563
• Assay: ≥99.0% (GC)
• Form: solid

Properties

• vapor pressure: 7.5 hPa ( 20 °C)
• Quality Segment: 200
• assay: ≥99.0% (GC)
• form: solid
• autoignition temp.: 410 °C
• potency: 8190 mg/kg LD₅₀, oral (Rat), >3980 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 3.6-28.7 % (v/v)
• bp: 114-115 °C/1013 hPa
• mp: 60-62 °C
• transition temp: flash point 45 °C
• density: 1.17 g/cm³ at 65 °C
• storage temp.: 2-30°C
• SMILES string: O1COCOC1
• InChI: 1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
• InChI key: BGJSXRVXTHVRSN-UHFFFAOYSA-N

Description

Application

• Organic Salts and 1,3,5-Trioxane Synthesis: Discusses the effect of various organic salts on the synthesis of 1,3,5-Trioxane, indicating significant influences on yield due to the salts′ properties (Yin et al., 2016).
• Separation Technologies: Explores the use of imidazolium-based polyionic liquids for separating the 1,3,5-Trioxane-Water/Ethanol-Water system, based on experimental verification and molecular simulations (Qu et al., 2022).
• Production from Dimethoxymethane: Studies polyoxymethylene dimethyl ethers production from dimethoxymethane and 1,3,5-Trioxane over SO42-/ZrO2-TiO2, providing insights into efficient production processes (Yao et al., 2023).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Melting range (lower value): ≥ 60 °C
Melting range (upper value): ≤ 63 °C
Identity (IR): passes test

Safety Information

• pictograms: GHS02,GHS07,GHS08
• signalword: Danger
• hcodes: H228 - H335 - H361d
• pcodes: P202 - P210 - P240 - P241 - P261 - P308 + P313
• Hazard Classifications: Flam. Sol. 1 - Repr. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 4.1B - Flammable solid hazardous materials
• wgk: WGK 1
• flash_point_f: 113.0 °F - closed cup
• flash_point_c: 45 °C - closed cup