39832

3,3-Dimethyl-1-butene

≥98.5% (GC)

• Synonym(s): Neohexene
• Linear Formula: (CH₃)₃CCH=CH₂
• CAS Number: 558-37-2
• Molecular Weight: 84.16
• Beilstein/REAXYS Number: 1697101
• EC Number: 209-195-9
• MDL number: MFCD00008853
• UNSPSC Code: 12352100
• PubChem Substance ID: 57649909
• NACRES: NA.22

Properties

• vapor density: >1 (vs air)
• vapor pressure: 6.96 psi ( 20 °C)
• assay: ≥98.5% (GC)
• refractive index: n20/D 1.376 (lit.); n20/D 1.377
• bp: 41 °C (lit.)
• mp: −115 °C (lit.)
• density: 0.653 g/mL at 25 °C (lit.)
• SMILES string: CC(C)(C)C=C
• InChI: 1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3
• InChI key: PKXHXOTZMFCXSH-UHFFFAOYSA-N

Description

General description

3,3-Dimethyl-1-butene oxidizes selectively to corresponding epoxide by chlorine promoted Ag(111) oxygen adatoms. 3,3-Dimethyl-1-butene undergoes copolymerization with ethylene using a chain-walking Pd-diimine catalyst. Cationic polymerization of 3,3-dimethyl-1-butene (tert-butyl ethylene) has been carried out using AlCl₃catalyst in ethyl chloride solvent in the temperature range -31 to -130°C.

Application

• Quantification of relevant Brønsted acid sites on Cl-doped alumina catalysts for the isomerization of olefins: This study explores the catalytic activity of 3,3-dimethyl-1-butene isomerization on Cl-doped alumina, highlighting the linearity of isomerization efficiency with specific Brønsted acid sites. (Q Rivet, R Beucher, F Morfin, T Nardin, D Farrusseng, Journal of Catalysis, 2023).

Safety Information

• pictograms: GHS02,GHS08
• signalword: Danger
• hcodes: H225,H304
• pcodes: P210 - P233 - P240 - P241 - P301 + P310 - P331
• Hazard Classifications: Asp. Tox. 1 - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 17.6 °F - closed cup
• flash_point_c: -8 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves