598-23-2
Product Name:
3-METHYL-1-BUTYNE
Formula:
C5H8
Synonyms:
1-Isopentyne;2-Methyl-3-butyne;3,3-Dimethyl-1-propyne;Isopropylacetylene;Isopropylethyne
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 471 |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H224:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
COMPUTED DESCRIPTORS
| Molecular Weight | 68.12 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 68.062600255 g/mol |
| Monoisotopic Mass | 68.062600255 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 51.7 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-methyl-1-butyne is a terminal acetylenic compound that is but-1-yne substituted by a methyl group at position 3. It has a role as a metabolite. It is a terminal acetylenic compound and an alkyne. It derives from a hydride of a but-1-yne.