Basic information
- CAS
2396-42-1- Standard SMILES
CCC1OC(CC)OC(CC)O1- InChIKey
GYBGKXFOKOSPLS-UHFFFAOYSA-N- Molecular formula
- C9H18O3
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.12559443
Overview
2,4,6-Triethyl-1,3,5-trioxane is a trioxane.
Names & identifiers
- Preferred name
- 2,4,6-Triethyl-1,3,5-trioxane
- IUPAC
- 2,4,6-triethyl-1,3,5-trioxane
- English name
- PARA-PROPIONALDEHYDE
- Molecular formula
- C9H18O3
- Molecular weight
- 174.24
Names & synonyms
2,4,6-Triethyl-1,3,5-trioxane2396-42-1Parapropionaldehydes-Trioxane, 2,4,6-triethyl-A3GKX4F553NSC-287025-19-09-00119 (Beilstein Handbook Reference)DTXSID00178672RefChem:82113DTXCID60101163821-076-9GYBGKXFOKOSPLS-UHFFFAOYSA-N
Show more names
1,3,5-Trioxane, 2,4,6-triethyl-PARA-PROPIONALDEHYDE2,4,6-Triethyl-s-trioxaneParapropanalPropionaldehyde trimerNSC 28702BRN 0106855NSC28702
Database identifiers
- CAS
2396-42-1- PubChem CID
- 95669
- DTXSID
DTXSID00178672- ChEBI
CHEBI:172105- UNII
- A3GKX4F553
- EC Number
- 821-076-9
- Nikkaji
- J139.718D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 91.2
Experimental & physicochemical properties
Melting Point-20 °C
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 57 · 57-57.5 °C(Press: 10 Torr)
- Density
- 0.9418 g/cm3 · 0.9418 g/cm3(Temp: 22 °C)
- CAS DataBase Reference
- 2396 · 2396-42-1
- FDA UNII
- 3 GKX4F553 · A3GKX4F553
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H226-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H319-H315-H226-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers3 total
BOC Sciences[email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: 2,4,6-Triethyl-1,3,5-trioxane is a trioxane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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