
1,3,5-Trioxane
1,3,5-trioxane is a saturated organic heteromonocyclic parent that is cyclohexane in which the carbon atoms at positions 1, 3 and 5 are replaced by oxygen atoms. It is a saturated organic heteromonocyclic parent and a trioxane. — ChEBI
- IUPAC name
- 1,3,5-trioxane
- Molecular formula
- C3H6O3
- Molecular weight
- 90.08 g/mol
- Exact mass
- 90.031694049 Da
- XLogP3
- -0.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 3
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:38043
- ChEMBL:CHEMBL1495792
- EPA DTXSID:DTXSID4021925
- PubMed:22900670
- PubMed:22891714
- PubMed:22508175
- PubMed:22412563
- PubMed:22348155
- PubMed:22272074
- PubMed:22242847
- PubMed:22228647
- PubMed:22174561
- PubMed:22122827
- PubMed:22029231
- PubMed:21904628
Evidence from additional scientific databases
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Autoignition Temperature: 777 °F (NTP, 1992) Source: CAMEO Chemicals
- Autoignition Temperature: 777 °F Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 238.1 °F at 759 mmHg (NTP, 1992) Source: CAMEO Chemicals
- Boiling Point: 114.5 °C @ 759 MM HG Source: Hazardous Substances Data Bank (HSDB)
- Color/Form: CRYSTALLINE SOLID Source: Hazardous Substances Data Bank (HSDB)
- Color/Form: RHOMBIC NEEDLES FROM ETHER Source: Hazardous Substances Data Bank (HSDB)
- Color/Form: WHITE Source: Hazardous Substances Data Bank (HSDB)
- Density: 1.17 at 149 °F (NTP, 1992) - Denser than water; will sink Source: CAMEO Chemicals
- Density: 1.17 @ 65 °C Source: Hazardous Substances Data Bank (HSDB)
- Flash Point: 113 °F (NTP, 1992) Source: CAMEO Chemicals
- Flash Point: 45 °C Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Flash Point: 45 °C Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: 147 °F (NTP, 1992) Source: CAMEO Chemicals
- Melting Point: 64 °C Source: Hazardous Substances Data Bank (HSDB)
- Odor: CHARACTERISTIC CHLOROFORM-LIKE ODOR Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: Transparent crystals or white crystalline solid with a pleasant odor resembling the odor of chloroform. Melts at 62 °C; boils at 115 °C without polymerization. The cyclic trimer of formaldehyde. Source: CAMEO Chemicals
- Physical Description: Large Crystals; Other Solid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: White solid with a chloroform-like odor; [HSDB] White crystalline powder; [MSDSonline] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Solubility: greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) Source: CAMEO Chemicals
- Solubility: SOL IN WATER: 17.2 G/100 ML @ 18 °C, 21.2 @ 25 °C; EASILY SOL IN ALC, KETONES, ETHER, ACETONE, ORG SOLVENTS, CHLORINATED & AROMATIC HYDROCARBONS; SLIGHTLY SOL IN PENTANE, PETROLEUM ETHER, LOWER PARAFFINS Source: Hazardous Substances Data Bank (HSDB)
- Solubility: SOL IN BENZENE, CARBON TETRACHLORIDE, CHLOROFORM, CARBON DISULFIDE Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: 13 mmHg at 77 °F (NTP, 1992) Source: CAMEO Chemicals
- Vapor Pressure: 13.0 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- First Aid: EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.; SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.; INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) shou Source: CAMEO Chemicals
- Signal: Danger Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- GHS Hazard Statements: H228: Flammable solid [Danger Flammable solids]; H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H361d ***: Suspected of damaging the unborn child [Warning Reproductive toxicity] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Precautionary Statement Codes: P203, P210, P240, P241, P261, P271, P280, P304+P340, P318, P319, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement) Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H228 (100%): Flammable solid [Danger Flammable solids]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H361 (99.3%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P203, P210, P240, P241, P261, P271, P280, P304+P340, P318, P319, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 285 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: NITE-CMC
- GHS Hazard Statements: H228: Flammable solid [Danger Flammable solids]; H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]; H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] Source: NITE-CMC
- Precautionary Statement Codes: P210, P240, P241, P260, P264, P270, P280, P308+P316, P319, P321, P370+P378, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- GHS Hazard Statements: H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]; H360: May damage fertility or the unborn child [Danger Reproductive toxicity]; H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] Source: NITE-CMC
- Precautionary Statement Codes: P203, P260, P261, P271, P280, P304+P340, P318, P319, P403+P233, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- NFPA Health Rating: 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury. Source: Hazardous Substances Data Bank (HSDB)
- NFPA Fire Rating: 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air. Source: Hazardous Substances Data Bank (HSDB)
- NFPA Instability Rating: 0 - Materials that in themselves are normally stable, even under fire conditions. Source: Hazardous Substances Data Bank (HSDB)
- Consumer Uses: Intermediate Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Monomers; Intermediate Source: EPA Chemical Data Reporting (CDR)
- Sources/Uses: Used for organic synthesis, as a disinfectant, and in fuel; [Hawley] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Industrial Processes with risk of exposure: Using Disinfectants or Biocides [Category: Clean] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: ORG SYNTHESIS; DISINFECTANT; NONLUMINOUS, ODORLESS FUEL Source: Hazardous Substances Data Bank (HSDB)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-09-02 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.