1,3-Dimethylallene
penta-2,3-diene
Also Known As: 2,3-Pentadiene|penta-2,3-diene|1,3-Dimethylallene|sym-Dimethylallene|2,3-pentadien|(S)-2,3-Pentadiene|(R)-2,3-Pentadiene|CH3CH=C=CHCH3|(R)-1,3-Dimethylallene|(S)-1,3-Dimethylallene|3lambda5-penta-2,3-diene|[R,(-)]-2,3-Pentadiene|[S,(+)]-2,3-Pentadiene|[S,(+)]-1,3-Dimethylallene|2,3-Pentadiene(6CI,8CI,9CI)
CAS: 591-96-8
| Molecular Formula | CC=C=CC |
|---|---|
| Molecular Weight | 68.0626 g/mol |
| LogP | 1.3 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 68.0626 |
| Monoisotopic Mass | 68.0626 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 591-96-8 |
|---|---|
| SMILES | CC=C=CC |
| InChIKey | PODAMDNJNMAKAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (12 patents)
Biotechnology (2 patents)
Catalysts (4 patents)
Coatings & Adhesives (17 patents)
Electronic Chemicals (3 patents)
Heterocyclic Building Blocks (50 patents)
Lubricants & Additives (4 patents)
Organic Building Blocks (52 patents)
Organometallic Reagents (5 patents)
Pharmaceutical Intermediates (59 patents)
Photographic Chemicals (24 patents)
Plastic Additives (5 patents)
Polymer Intermediates (57 patents)
Specialty Chemicals (24 patents)
Surfactants & Detergents (2 patents)
Product Overview
1,3-Dimethylallene (CAS 591-96-8), with molecular formula CC=C=CC and molecular weight 68.0626 g/mol. IUPAC: penta-2,3-diene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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