1,3,5-Tri-tert-butylbenzene
Properties
- Molecular formula
- C18H30
- Molar mass
- 246.44 g/mol
- Exact mass
- 246.2348 Da
- Melting point
- 73 °C
- Boiling point
- 115–130 °C (at 10 Torr)
- logP
- 5.58Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed25% of notifiers
- H312 Harmful in contact with skin25% of notifiers
- H315 Causes skin irritation25% of notifiers
- H317 May cause an allergic skin reaction50% of notifiers
- H319 Causes serious eye irritation25% of notifiers
- H332 Harmful if inhaled25% of notifiers
- H335 May cause respiratory irritation25% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure50% of notifiers
- H413 May cause long lasting harmful effects to aquatic life25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1460-02-2SMILES
CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1InChIKey
GUFMBISUSZUUCB-UHFFFAOYSA-NInChI
InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzene, 1,3,5-tris(1,1-dimethylethyl)-
- Benzene, 1,3,5-tri-tert-butyl-
- 1,3,5-Tris(1,1-dimethylethyl)benzene
- 1,3,5-Tri-t-butylbenzene
- 1,3,5-Tris(tert-butyl)benzene
- 1,3,5-Tritert-butylbenzene
Work with 1,3,5-Tri-tert-butylbenzene
Similar compounds
3,5-Di-tert-butyltoluene15181-11-071 % similar
3,5-Di-tert-butylphenol1138-52-967 % similar
1-Bromo-3,5-bis(1,1-dimethylethyl)benzene22385-77-967 % similar
3,5-Bis(1,1-dimethylethyl)benzenamine2380-36-167 % similar
1,3-Di-tert-butylbenzene1014-60-465 % similar
1-(1,1-Dimethylethyl)-3,5-dimethylbenzene98-19-161 % similar
1,4-Di-tert-butylbenzene1012-72-260 % similar
1,3-Dibromo-5-tert-butylbenzene129316-09-258 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.