(+)-Nootkatone, crystalline, 98+%, Thermo Scientific Chemicals

Description

(+)-Nootkatone, crystalline is used as an effective repellent in mosquitos, bed bugs, lone star ticks and head lice. It is also used as a food additive and flavoring material in beverages. It finds application in fragrances, cosmetics and pharmaceuticals. Further, it is used as a flavor material in beverage, frozen dairy and baked good applications.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
(+)-Nootkatone, crystalline is used as an effective repellent in mosquitos, bed bugs, lone star ticks and head lice. It is also used as a food additive and flavoring material in beverages. It finds application in fragrances, cosmetics and pharmaceuticals. Further, it is used as a flavor material in beverage, frozen dairy and baked good applications.

Solubility
Slightly soluble in ethanol and chloroform. Partly soluble in water.

Notes
Incompatible with strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 4674-50-4
• Molecular Formula: C15H22O
• Molecular Weight (g/mol): 218.34
• MDL Number: MFCD00036591
• InChI Key: WTOYNNBCKUYIKC-SLEUVZQESA-N
• Synonym: unii-zms1vjk5hy, zms1vjk5hy, nootkatone,-, +-nootkatone, crystalline, 2 3h-naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-1-methylethenyl-, 4s,4ar,6s, unii-3k3okv2a5a component, 4s,6s,4ar-4,4a-dimethyl-6-1-methylvinyl-3,4,5,6,7,8,4a-heptahydronaphthale n-2-one
• PubChem CID: 7567181
• IUPAC Name: (4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
• SMILES: CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C

• Melting Point: 34°C to 36°C
• Density: 0.997
• Boiling Point: 125°C (0.5 mmHg)
• Flash Point: 99°C (210°F)
• Quantity: 25 g
• Beilstein: 4676969
• Solubility Information: Slightly soluble in ethanol and chloroform. Partly soluble in water.
• Optical Rotation: +185° (c=1 in Chloroform)
• Formula Weight: 218.34
• Percent Purity: ≥98%
• Physical Form: Crystalline
• Chemical Name or Material: (+)-Nootkatone

Safety and Handling

EINECSNumber	225-124-4
TSCA	Yes
Recommended Storage	Keep cold

SDS

RUO – Research Use Only