75056

(+)-Valencen

technical, ≥70%

• Synonym(e): (3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalin
• Empirische Formel (Hill-System): C₁₅H₂₄
• CAS-Nummer: 4630-07-3
• Molekulargewicht: 204.35
• Beilstein: 3539153
• EG-Nummer: 225-047-6
• MDL-Nummer: MFCD00075884
• UNSPSC-Code: 12352002
• PubChem Substanz-ID: 57652542
• NACRES: NA.22

Eigenschaften

• Qualität: technical
• Qualitätsniveau: 100
• Assay: ≥70%
• Form: liquid
• Optische Aktivität: [α]20/D +100±25°, neat
• Brechungsindex: n20/D 1.504 (lit.)
• bp: 274 °C (lit.)
• Dichte: 0.92 g/mL at 25 °C (lit.)
• Lagertemp.: 2-8°C
• SMILES String: C[C@@H]1CCC=C2CC[C@H](C[C@@]12C)C(C)=C
• InChI: 1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1
• InChIKey: QEBNYNLSCGVZOH-NFAWXSAZSA-N

Beschreibung

Allgemeine Beschreibung

(+)-Valencene is a sesquiterpene, which contains decalin framework and two methyl-bearing stereocenters. It is an aroma component of citrus fruit.

Anwendung

(+)-Valencene can be used as a precursor to prepare:

• (+)-Nootkatone (a sesquiterpene) by dark singlet oxygenation.
• Benzoyloxyvalencene by reacting with tert-butyl peroxy benzoate via Kharasch−Sosnovsky allylic oxidation method.
• (+)-Lineariifolianone, a natural product.

Sicherheitshinweise

• Piktogramme: GHS08
• Signalwort: Danger
• H-Sätze: H304
• P-Sätze: P301 + P310 - P331 - P405 - P501
• Gefahreneinstufungen: Asp. Tox. 1
• Lagerklassenschlüssel: 10 - Combustible liquids
• WGK: WGK 3
• Flammpunkt (°F): 212.0 °F - closed cup
• Flammpunkt (°C): 100 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Gloves