Triisopropyl-s-trioxane

HCID 82059

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Basic information

CAS: 7580-12-3
Standard SMILES: CC(C)C1OC(C(C)C)OC(C(C)C)O1
InChIKey: XYIANCZIPATGDH-UHFFFAOYSA-N
Molecular formula: C12H24O3
Average molar mass: 216.32 g/mol
Monoisotopic mass: 216.17254462

Names & identifiers

Preferred name: Triisopropyl-s-trioxane
IUPAC: 2,4,6-tri(propan-2-yl)-1,3,5-trioxane
English name: 2,4,6-Tripropan-2-yl-1,3,5-trioxane
Molecular formula: C12H24O3
Molecular weight: 216.32

Names & synonyms

2,4,6-Triisopropyl-1,3,5-trioxane7580-12-3Sunsubly BTriisopropyl-s-trioxane2,4,6-Triisopropyltrioxane1,3,5-Trioxane, 2,4,6-tris(1-methylethyl)-DW0AJ31USSs-Trioxane, 2,4,6-triisopropyl-2,4,6-Tris(1-methylethyl)-1,3,5-trioxaneSUNSUBLYEINECS 231-479-6NSC 67871

Show more names

0/3/80ParaisobutyraldehydeBudesonide Impurity 55

NSC-678711,3,5-Trioxane, 2,4,6-triisopropyl-AI3-05962DTXSID6064745RefChem:899681DTXCID1047819s-Trioxane, 2,4,6-triisopropyl-(7CI,8CI)231-479-6

Database identifiers

CAS: 7580-12-3
PubChem CID: 82059
DTXSID: DTXSID6064745
UNII: DW0AJ31USS
EC Number: 231-479-6
Nikkaji: J58.288C

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 144

Physicochemical properties

Melting point: 64 ℃ · 64℃
Boiling point: 244.9 · 244.9±20.0 °C(Predicted)
Density: 0.916 · 0.916±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: White to off-white Solid
InChI: InChI=1S/C12H24O3/c1-7(2)10-13-11(8(3)4)15-12(14-10)9(5)6/h7-12H,1-6H3
InChIKey: XYIANCZIPATGDH-UHFFFAOYSA-N
SMILES: O1C(C(C)C)OC(C(C)C)OC1C(C)C
EWG's Food Scores: 1 · 1
FDA UNII: 0 AJ31USS · DW0AJ31USS
EPA Substance Registry System: 1 · 1,3,5-Trioxane, 2,4,6-tris(1-methylethyl)- (7580-12-3)
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 · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3,5-Trioxane, 2,4,6-tris(1-methylethyl)-: INACTIVE

Suppliers40 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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