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

(+)-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.

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

EINECSNumber

225-124-4

TSCA

Yes

Recommended Storage

Keep cold

SDS

EINECSNumber

225-124-4

TSCA

Yes

Recommended Storage

Keep cold

SDS

RUO – Research Use Only