3-Methyl-1-butene

C₅H₁₀CAS 563-45-170.13 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₅H₁₀
Molar mass: 70.13 g/mol
Exact mass: 70.0783 Da
Density: 0.6213 g/mL (at 25 °C)
Melting point: −168.5 °C
Boiling point: 20.1 °C
Flash point: -6.7 °C (closed cup)
Water solubility: 130 mg/L
logP: 1.83Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H224 Extremely flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways25.6% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 156 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

563-45-1

SMILES

C=CC(C)C

InChIKey

YHQXBTXEYZIYOV-UHFFFAOYSA-N

InChI

InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3

Weigh it out

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

Names and synonyms

6 names

1-Butene, 3-methyl-
α-Isoamylene
2-Methyl-3-butene
Isopropylethylene
Isopropylethene
3,3-Dimethylpropene

Work with 3-Methyl-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

3-Methyl-1,4-pentadiene1115-08-850 % similar 3-Chloro-1-butene563-52-042 % similar 3-Buten-2-ol598-32-342 % similar 3-Methyl-1-pentene760-20-338 % similar Acrolein dimethyl acetal6044-68-435 % similar 1,5-Hexadiene-3,4-diol1069-23-433 % similar cis-4-Methyl-2-pentene691-38-333 % similar Isobutyraldehyde78-84-233 % similar

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

Same formula

Pentene109-67-1 Pent-2-ene109-68-2 Cyclopentane287-92-3 2-Methyl-2-butene513-35-9 2-Methyl-1-butene563-46-2 cis-2-Pentene627-20-3 trans-2-Pentene646-04-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook