2,4,4-Trimethyl-2-pentene

C₈H₁₆CAS 107-40-4112.22 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₈H₁₆
Molar mass: 112.22 g/mol
Exact mass: 112.1252 Da
Density: 0.7218 g/mL (at 20 °C)
Melting point: −106.3 °C
Boiling point: 104.9 °C
Flash point: 1.7 °C (open cup)
Water solubility: insoluble
logP: 3.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways66.5% of notifiers
H315 Causes skin irritation68.4% of notifiers
H319 Causes serious eye irritation68.4% of notifiers
H335 May cause respiratory irritation68.4% of notifiers
H336 May cause drowsiness or dizziness48.4% of notifiers
H411 Toxic to aquatic life with long lasting effects50.7% of notifiers

Aggregated from 215 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, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

107-40-4

SMILES

CC(C)=CC(C)(C)C

InChIKey

LAAVYEUJEMRIGF-UHFFFAOYSA-N

InChI

InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3

Weigh it out

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

Names and synonyms

3 names

2-Pentene, 2,4,4-trimethyl-
Propene, 1-tert-butyl-2-methyl-
2,2,4-Trimethyl-3-pentene

Work with 2,4,4-Trimethyl-2-pentene

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

2,5-Dimethyl-2,4-hexadiene764-13-635 % similar 2-Methyl-2-butene513-35-932 % similar 2,7-Dimethyl-2,6-octadiene16736-42-830 % similar 1-Bromo-2-methyl-1-propene3017-69-430 % similar Neohexene558-37-230 % similar Pivaldehyde630-19-330 % similar

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

Same formula

2,4,4-Trimethyl-1-pentene107-39-1 Isooctene11071-47-9 1-Octene111-66-0 2-Octene111-67-1 2-Octene13389-42-9 trans-4-Octene14850-23-8 trans-3-Octene14919-01-8 2-Methyl-1-heptene15870-10-7

Elsewhere

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