2,2-Dimethylbutane
Properties
- Molecular formula
- C6H14
- Molar mass
- 86.18 g/mol
- Exact mass
- 86.1096 Da
- Density
- 0.6485 g/mL (at 20 °C)
- Melting point
- −99.9 °C
- Boiling point
- 49.7 °C
- Flash point
- -47.8 °C (closed cup)
- Water solubility
- 21.2 mg/L (25 °C)
- logP
- 2.44Crippen 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
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 601-007-00-7[3]), 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
75-83-2SMILES
CCC(C)(C)CInChIKey
HNRMPXKDFBEGFZ-UHFFFAOYSA-NInChI
InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Butane, 2,2-dimethyl-
- Neohexane
- 3,3-Dimethylbutane
- NSC 74126
- tert-Butylethane
Work with 2,2-Dimethylbutane
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
3,3-Dimethylpentane562-49-247 % similar
2,2,4,4-Tetramethylpentane1070-87-743 % similar
2-Bromo-2-methylbutane507-36-841 % similar
2,2-Dimethylpentane590-35-241 % similar
2,2,4-Trimethylhexane16747-26-540 % similar
2-Methyl-2-butanethiol1679-09-039 % similar
tert-Amyl chloride594-36-539 % similar
tert-Amylamine594-39-839 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.