1,3,5-Tri-tert-butylbenzene
- CAS NO.：1460-02-2
- Empirical Formula: C18H30
- Molecular Weight: 246.43
- MDL number: MFCD00008831
- EINECS: 215-952-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-05-12 09:20:59
What is 1,3,5-Tri-tert-butylbenzene?
Chemical properties
WHITE TO ALMOST WHITE CRYSTALLINE SOLID
The Uses of 1,3,5-Tri-tert-butylbenzene
1,3,5-Tri-tert-butylbenzene is used in the preparation of sandwich complexes of scandium, yttrium and lanthanide ions.
Synthesis Reference(s)
Canadian Journal of Chemistry, 33, p. 672, 1955 DOI: 10.1139/v55-079
General Description
The Sandros-Boltzmann (SB) dependency on the reaction free energy of 1,3,5-tri-tert-butylbenzene has been studied.
Purification Methods
Crystallise it from EtOH. [Beilstein 5 IV 1206.]
Properties of 1,3,5-Tri-tert-butylbenzene
| Melting point: | 67-72 °C (lit.) |
| Boiling point: | 121-122 °C/12 mmHg (lit.) |
| Density | 0.8496 (estimate) |
| refractive index | 1.4948 (estimate) |
| Flash point: | 121-122°C/12mm |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Sparingly), Ethyl Acetate (Slightly) |
| form | Solid |
| color | White to Off-White |
| Water Solubility | Insoluble in water. |
| BRN | 1909579 |
| InChI | InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3 |
| CAS DataBase Reference | 1460-02-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1,3,5-tri-tert-butyl-(1460-02-2) |
Safety information for 1,3,5-Tri-tert-butylbenzene
Computed Descriptors for 1,3,5-Tri-tert-butylbenzene
| InChIKey | GUFMBISUSZUUCB-UHFFFAOYSA-N |
| SMILES | C1(C(C)(C)C)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1 |
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