Nootkatone

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Names

[ Name ]:
Nootkatone

[Synonym ]:
(4R,4aS,6R)-6-Isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R)-
EINECS 225-124-4
MFCD00036591
4βh,5α-eremophila-1(10),11-dien-2-one
Nootkatone
Nootkatone, (+)-

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
318.6±42.0 °C at 760 mmHg

[ Melting Point ]:
35-39ºC

[ Molecular Formula ]:
C₁₅H₂₂O

[ Molecular Weight ]:
218.335

[ Flash Point ]:
142.1±18.7 °C

[ Exact Mass ]:
218.167068

[ PSA ]:
17.07000

[ LogP ]:
3.84

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.503

[ Storage condition ]:
2-8°C

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
Slightly soluble in ethanol and chloroform. Partly soluble in water.

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H317

[ Precautionary Statements ]:
P280

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(4R,4aS,6R)-4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-chloro-1-methylethyl)-2(3H)-naphthalenone
eremophilene
Bicyclo[3.1.1]heptan-2-one,6,6-dimethyl-, (1R,5S)-
(1R,3R,5R)-6,6-Dimethyl-3-(1-hydroxyethyl)bicyclo[3.1.1]heptan-2-one
(1R,5R)-6,6-Dimethyl-2-[(trimethylsilyl)oxy]bicyclo[3.1.1]hept-2-ene
(1R,5R)-6,6-Dimethyl-3-(Z)-ethylidenebicyclo[3.1.1]heptan-2-one
(1R,5R)-6,6-Dimethyl-3-(E)-ethylidenebicyclo[3.1.1]heptan-2-one
(1R,3S,5R)-3-[(1R)-1-Methyl-3-oxobutyl]-3,6,6-trimethylbicyclo[3.1.1]heptan-2-one
(1R,3S,5S)-6,6-Dimethyl-3-[1-methyl-3-butenyl]bicyclo[3.1.1]heptan-2-one
(1R,3S,5S)-6,6-Dimethyl-3-[1-methyl-3-methyl-3-butenyl]bicyclo[3.1.1.]heptan-2-one

DownStream

Articles

CYP264B1 from Sorangium cellulosum So ce56: a fascinating norisoprenoid and sesquiterpene hydroxylase.

Appl. Microbiol. Biotechnol. 95(1) , 123-33, (2012)

Many terpenes and terpenoid compounds are known as bioactive substances with desirable fragrance and medicinal activities. Modification of such compounds to yield new derivatives with desired properti...

A-Z of nutritional supplements: dietary supplements, sports nutrition foods and ergogenic aids for health and performance--Part 27.

Br. J. Sports Med. 45(15) , 1246-8, (2011)

Anti-diarrheal constituents of Alpinia oxyphylla.

Fitoterapia 89 , 149-56, (2013)

Isolation, screening and in vivo assays have been used for evaluating anti-diarrhea bioactive of Alpinia oxyphylla. Preliminary experimental results showed that 95% ethanol extract and 90% ethanol elu...

Nootkatone
nootkatone
nootkatone hydrochloride