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Nootkatone

Catalog Number

ACM4674504

CAS

4674-50-4

Structure

IUPAC Name

(4R,4aS,6R)-4,4a-Dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one

Synonyms

6-Isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone

Molecular Weight

218.33

Molecular Formula

C15H22O

Canonical SMILES

CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C

InChI

InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1

InChI Key

WTOYNNBCKUYIKC-JMSVASOKSA-N

Boiling Point

125 °C

Melting Point

35-39 °C

Flash Point

99 °C

Purity

95%+

Density

0,997 g/cm³

Solubility

Slightly soluble in ethanol and chloroform; partly soluble in water

Actives

95%

Physical State

Oily liquid

Typical Applications

Use as perfume.

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

Custom Q&A

What is the CAS number for Nootkatone?

The CAS number for Nootkatone is 4674-50-4.

What are some synonyms for Nootkatone?

Some synonyms for Nootkatone are 6-Isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone and IUPAC Name (4R,4aS,6R)-4,4a-Dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one.

What is the molecular weight of Nootkatone?

The molecular weight of Nootkatone is 218.33.

What is the molecular formula of Nootkatone?

The molecular formula of Nootkatone is C15H22O.

What is the InChI of Nootkatone?

The InChI of Nootkatone is InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1.

What is the boiling point of Nootkatone?

The boiling point of Nootkatone is 125 °C.

What is the melting point of Nootkatone?

The melting point of Nootkatone is 35-39 °C.

What is the flash point of Nootkatone?

The flash point of Nootkatone is 99 °C.

What is the purity of Nootkatone?

The purity of Nootkatone is 95%+.

What are the typical applications of Nootkatone?

Nootkatone is typically used as a perfume.

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