Benzalacetone
- CAS:
- Other names: Acetocinnamone; Benzalacetone; Benzylideneacetone; Methyl β-styryl ketone; Methyl styryl ketone; 2-Phenylvinyl methyl ketone; 4-Phenyl-3-buten-2-one; 4-Phenylbutenone; 1-Buten-3-one-1-phenyl; trans-4-Phenyl-3-buten-2-one; Benzalaceton; Styryl methyl ketone; 4-Phenylbut-3-en-2-one; (3E)-4-Phenyl-3-buten-2-one
- SMILES: CC(=O)C=Cc1ccccc1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 146.19 | 1 | 0 | 2.29 | 17.07 | 2 | 33 | 0.10 | C10H10O |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| nt0050 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [a-Cyclodextrin](1).[Benzalacetone] | 2.02 | 25.0 | Kenneth A. Connors 1995 | |||