| Identification | More | [Name]
1,3,5-Tri-tert-butylbenzene | [CAS]
1460-02-2 | [Synonyms]
1,3,5-TRI-T-BUTYLBENZENE
1,3,5-TRI-TERT-BUTYLBENZENE
1,3,5-Tris-(1,1-dimethylethyl)benzene
Benzene, 1,3,5-tris(1,1-dimethylethyl)-
benzene,1,3,5-tri(1,1-dimethylethyl)-
1,3,5-TRI-TERT-BUTYLBENZENE 98+%
1,3,5-TRI-T-BUTYLBENZENE 95%
1,3,5-Tri-tert-butylbenzene, 97+%
1,3,5-Tris-tert-butylbenzene
2,4,6-Tri-tert-butylbenzene | [EINECS(EC#)]
215-952-4 | [Molecular Formula]
C18H30 | [MDL Number]
MFCD00008831 | [Molecular Weight]
246.43 | [MOL File]
1460-02-2.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE TO ALMOST WHITE CRYSTALLINE SOLID | [Melting point ]
67-72 °C (lit.) | [Boiling point ]
121-122 °C/12 mmHg (lit.) | [density ]
0.8496 (estimate) | [refractive index ]
1.4948 (estimate) | [Fp ]
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 | [InChIKey]
GUFMBISUSZUUCB-UHFFFAOYSA-N | [SMILES]
C1(C(C)(C)C)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1 | [CAS DataBase Reference]
1460-02-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1,3,5-tri-tert-butyl-(1460-02-2) |
| Safety Data | Back Directory | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HS Code ]
29029090 |
| Hazard Information | Back Directory | [Chemical Properties]
WHITE TO ALMOST WHITE CRYSTALLINE SOLID | [Uses]
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.] |
| Spectrum Detail | Back Directory | [Spectrum Detail]
1,3,5-Tri-tert-butylbenzene(1460-02-2)MS
1,3,5-Tri-tert-butylbenzene(1460-02-2)1HNMR
1,3,5-Tri-tert-butylbenzene(1460-02-2)13CNMR
1,3,5-Tri-tert-butylbenzene(1460-02-2)IR1
1,3,5-Tri-tert-butylbenzene(1460-02-2)IR2
1,3,5-Tri-tert-butylbenzene(1460-02-2)Raman
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