1,3,5-Trioxane, 2,4,6-tripropyl-
Basic information
- CAS
2396-43-2- Standard SMILES
CCCC1OC(CCC)OC(CCC)O1- InChIKey
OXSRKPVVVMMMER-UHFFFAOYSA-N- Molecular formula
- C12H24O3
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.17254462
Names & identifiers
- Preferred name
- 1,3,5-Trioxane, 2,4,6-tripropyl-
- IUPAC
- 2,4,6-tripropyl-1,3,5-trioxane
- English name
- 2,4,6-tripropyl-1,3,5-trioxane
- Molecular formula
- C12H24O3
- Molecular weight
- 216.32
Names & synonyms
2,4,6-Tripropyl-1,3,5-trioxaneParabutyraldehyde1,3,5-Trioxane, 2,4,6-tripropyl-p-n-ButyraldehydeBRN 0111692EINECS 219-249-35-19-09-00120 (Beilstein Handbook Reference)DTXSID7062372RefChem:72351DTXCID0036972219-249-3OXSRKPVVVMMMER-UHFFFAOYSA-N
Show more names
Budesonide Impurity 52
2396-43-22,4,6-Tripropyl-s-trioxanes-Trioxane, 2,4,6-tripropyl-Budesonide Impurity 27Budesonide Impurity 34SCHEMBL53074002,4,6-Tripropyl-1,3,5-trioxane #NS00027517
Database identifiers
- CAS
2396-43-2- PubChem CID
- 75453
- DTXSID
DTXSID7062372- EC Number
- 219-249-3
- Nikkaji
- J95.906E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 296.74 °C · 296.74°C (rough estimate)
- Density
- 1.0316 · 1.0316 (rough estimate)
- refractive index
- 1.441 · 1.4410 (estimate)
- EPA Substance Registry System
- 1 · 1,3,5-Trioxane, 2,4,6-tripropyl- (2396-43-2)
- Symbol(GHS)
- 2 · GHS02,GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H302-H370-H372-H319-H226
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P264-P270-P314-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P260-P264-P270-P307+P311-P321-P405-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (50%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08,GHS07
- Hazard statements
- H315-H302-H370-H372-H319-H226
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P264-P270-P314-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P260-P264-P270-P307+P311-P321-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5-Trioxane, 2,4,6-tripropyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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