(+)-Nootkatone
ALDRICH/74437 - ≥99.0% (GC)
Synonym: (4R,4aS,6R)
CAS Number: 4674-50-4
Empirical Formula (Hill Notation): C15H22O
Molecular Weight: 218.33
EC Number: 225-124-4
MDL Number: MFCD04974578
Linear Formula: C15H22O
Product Type: Chemical
| assay | ≥99.0% (GC) |
| form | crystals |
| functional group | ketone |
| InChI | 1S/C15H22O/c1-10(2)12-5-6 |
| InChI key | WTOYNNBCKUYIKC-JMSVASOKSA |
| mp | 35-39 °C |
| optical activity | [α]20/D +182.0±5.0°, c = 1% in ethanol |
| Quality Level | 100  |
| SMILES string | C[C@@H]1CC(=O)C=C2CC[C@H] |
| storage condition | under inert gas (Argon) |
| storage temp. | 2-8°C |
| Application: | (+)-Nootkatone can be used: • In the iron(III) porphyrin catalyzed alkene aziridination reaction with organic azides under photo-irradiation condition. • As a substrate to synthesize its corresponding triene derivative through reduction-elimination reaction using iridium catalyst. |
| General description: | (+)-nootkatone, a bicyclic conjugated sesquiterpene ketone with a grapefruit-like flavor, is commonly used in fragrance, food, cosmetics and pharmaceutical industry. It can be synthesized from (+)-valencene via biotransformation. (+)-nootkatone is the active ingredient responsible for the antiplatelet effect of Cyperus rotundus, a well-known oriental traditional medicine. It also shows promising efficacy against Staphylococcus aureus biofilms. |
| Packaging: | 2.5 g in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H317 |
| Precautionary statements | P280 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 2 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | ≥99.0% (GC) |
| mp | 35-39 °C |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352205 |