2,3-Dimethylbutane
Properties
- Molecular formula
- C6H14
- Molar mass
- 86.18 g/mol
- Exact mass
- 86.1096 Da
- Density
- 0.6616 g/mL (at 20 °C)
- Melting point
- −128.8 °C
- Boiling point
- 57.9 °C
- Flash point
- -28.9 °C (closed cup)
- Water solubility
- < 1 g/L (23.5 °C)
- logP
- 2.30Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
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[4]), 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
79-29-8SMILES
CC(C)C(C)CInChIKey
ZFFMLCVRJBZUDZ-UHFFFAOYSA-NInChI
InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Butane, 2,3-dimethyl-
- Biisopropyl
- Diisopropyl
- 1,1,2,2-Tetramethylethane
- NSC 24837
Work with 2,3-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
2,3,4-Trimethylpentane565-75-350 % similar
2,4-Dimethyl-3-pentanol600-36-242 % similar
2,4,6-Triisopropyl-1,3,5-trioxane7580-12-342 % similar
3-Methyl-2-butanethiol2084-18-638 % similar
(R)-(-)-2-Amino-3-methylbutane34701-33-238 % similar
1,2-Dimethylpropylamine598-74-338 % similar
3-Methyl-2-butanol598-75-438 % similar
2-Bromopropane75-26-336 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.