3,3-Dimethyl-1-butene
Synonym(s):Neohexene
- CAS NO.：558-37-2
- Empirical Formula: C6H12
- Molecular Weight: 84.16
- MDL number: MFCD00008853
- EINECS: 209-195-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-04-10 10:27:09
What is 3,3-Dimethyl-1-butene?
Chemical properties
clear colorless liquid
The Uses of 3,3-Dimethyl-1-butene
3,3-Dimethyl-1-butene is a useful reagent for organic synthesis.
General Description
3,3-Dimethyl-1-butene oxidizes selectively to corresponding epoxide by chlorine promoted Ag(111) oxygen adatoms. It undergoes copolymerization with ethylene using a chain-walking Pd-diimine catalyst.
Properties of 3,3-Dimethyl-1-butene
| Melting point: | -115 °C (lit.) |
| Boiling point: | 41 °C (lit.) |
| Density | 0.653 g/mL at 25 °C (lit.) |
| vapor density | >1 (vs air) |
| vapor pressure | 6.96 psi ( 20 °C) |
| refractive index | n |
| Flash point: | −20 °F |
| storage temp. | 2-8°C |
| form | Liquid |
| color | Clear colorless |
| explosive limit | 1.2%(V) |
| Water Solubility | Not miscible or difficult to mix in water. |
| BRN | 1697101 |
| CAS DataBase Reference | 558-37-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Butene, 3,3-dimethyl-(558-37-2) |
| EPA Substance Registry System | 1-Butene, 3,3-dimethyl- (558-37-2) |
Safety information for 3,3-Dimethyl-1-butene
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
Computed Descriptors for 3,3-Dimethyl-1-butene
| InChIKey | PKXHXOTZMFCXSH-UHFFFAOYSA-N |
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