2,3-Dimethyl-1-butene

C₆H₁₂CAS 563-78-084.16 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₆H₁₂
Molar mass: 84.16 g/mol
Exact mass: 84.0939 Da
Density: 0.6695 g/mL (at 20 °C)
Melting point: −157.3 °C
Boiling point: 55.6 °C
logP: 2.22Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways100% of notifiers
H315 Causes skin irritation25.6% of notifiers
H319 Causes serious eye irritation25.6% of notifiers
H335 May cause respiratory irritation25.6% of notifiers

Aggregated from 86 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

563-78-0

SMILES

C=C(C)C(C)C

InChIKey

OWWIWYDDISJUMY-UHFFFAOYSA-N

InChI

InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names

1-Butene, 2,3-dimethyl-
2-Isopropylpropene
1-Isopropyl-1-methylethylene
NSC 73906
2,3-Dimethyl-1-butylene

Work with 2,3-Dimethyl-1-butene

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-Dimethylpent-1-ene3404-72-645 % similar Isobutylene115-11-735 % similar Polyisobutene9003-27-435 % similar 1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-334 % similar (+)-Limonene5989-27-534 % similar (S)-Limonene5989-54-834 % similar 1-Methyl-4-prop-1-en-2-ylcyclohexene7705-14-834 % similar Methyl isopropyl ketone563-80-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cyclohexane110-82-7 Cyclohexane-D121735-17-7 trans-2-Hexene4050-45-7 Neohexene558-37-2 Tetramethylethylene563-79-1 1-Hexene592-41-6 Hex-2-ene592-43-8 3-Hexene592-47-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook