Tetramethylbutane
Properties
- Molecular formula
- C8H18
- Molar mass
- 114.23 g/mol
- Exact mass
- 114.1409 Da
- Density
- 0.823 g/mL (at 23 °C)
- Melting point
- 100.7 °C
- Boiling point
- 106.4 °C
- logP
- 3.08Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H304 May be fatal if swallowed and enters airwaysAspiration hazard
- H315 Causes skin irritationSkin corrosion/irritation
- H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 601-009-00-8[15]), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
594-82-1SMILES
CC(C)(C)C(C)(C)CInChIKey
OMMLUKLXGSRPHK-UHFFFAOYSA-NInChI
InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Butane, 2,2,3,3-tetramethyl-
- 2,2,3,3-Tetramethylbutane
- Ethane, hexamethyl-
- Hexamethylethane
- NSC 62039
Work with Tetramethylbutane
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.