Basic information
- CAS
68165-40-2- Standard SMILES
CC(C)CC1OC(CC(C)C)OC(CC(C)C)O1- InChIKey
SBVHSWJZXOYLFE-UHFFFAOYSA-N- Molecular formula
- C15H30O3
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.21949481
Names & identifiers
- Preferred name
- 2,4,6-Triisobutyl-1,3,5-trioxane
- IUPAC
- 2,4,6-tris(2-methylpropyl)-1,3,5-trioxane
- English name
- 2,4,6-triisobutyl-1,3,5-trioxane
- Molecular formula
- C15H30O3
- Molecular weight
- 258.4
Names & synonyms
2,4,6-Triisobutyl-1,3,5-trioxane68165-40-22,4,6-tris(2-methylpropyl)-1,3,5-trioxane1,3,5-Triisobutyl-2,4,6-trioxaneBRN 0119985EINECS 269-012-34KW7X7XVE11,3,5-Trioxane, 2,4,6-tris(2-methylpropyl)-5-19-09-00121 (Beilstein Handbook Reference)1,3,5-TRIOXANE, 2,4,6-TRIS(2-METHYLPROPYL)-, (2.ALPHA.,4.ALPHA.,6.ALPHA.)-RefChem:4429311,3,5-TRIOXANE, 2,4,6-TRIS(2-METHYLPROPYL)-, (2ALPHA,4ALPHA,6ALPHA)-
Show more names
269-012-3s-Trioxane, 2,4,6-triisobutyl-UNII-4KW7X7XVE1SCHEMBL6810438DTXSID00218345NS000364592,4,6-Tri-isobutyl-[1,3,5]trioxane, stereoisomer 1
Database identifiers
- CAS
68165-40-2- PubChem CID
- 198512
- DTXSID
DTXSID00218345- UNII
- 4KW7X7XVE1
- EC Number
- 269-012-3
- Nikkaji
- J317.377A
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Odor
- 1 % · at 1.00 % in propylene glycol. sweet dairy-like creamy vanilla berry-like milk chocolate-like and coco butter-like
- Odor Type
- dairy
- LogP
- 5.135 · 5.135 (est)
- FDA UNII
- 4 KW7X7XVE1 · 4KW7X7XVE1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 234 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,3,5-Trioxane, 2,4,6-tris(2-methylpropyl)-
1,3,5-Trioxane, 2,4,6-tris(2-methylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…