(±)-tetrahydronootkatone

General Material Information

Preferred name	(±)-tetrahydronootkatone
Trivial Name	(4S,4aR,6S,8aR)-Octahydro-4,4a-dimethyl-6-(1-methylethyl)-2(1H)-naphthalenone
Short Description	2(1H)-naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethyl)-
Formula	C15 H26 O
CAS Number	38427-80-4
FEMA Number	4840
FDA UNII	Search
xLogP3-AA	4.40 (est)
NMR Predictor	External link
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
Synonyms	2(1H)- naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethyl)- (+)-(4R,4aS,6R,8aS)-6-iso propyl-4,4a-dimethyl octahydronaphthalen-2(1H)-one 6-iso propyl-4,4a-dimethyloctahydronaphthalen-2(1H)-one ((+)-(4R,4aS,6R,8aS)- tetrahydronootkatone 2(1H)-Naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethyl)-, (4S,4aR,6S,8aR)- (4S,4aR,6S,8aR)-Octahydro-4,4a-dimethyl-6-(1-methylethyl)-2(1H)-naphthalenone (-)-Tetrahydronootkatone

Leffingwell:	Chirality or Article
	6-isopropyl-4,4a-dimethyloctahydronaphthalen-2(1H)-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	73045098
Pubchem (cas):	38427-80-4
Pherobase:	View

Publications by Google Patents
Dihydronootkatone and tetrahydronootkatone as repellents to arthropods
Publications by PubMed
An efficient and economic asymmetric synthesis of (+)-nootkatone, tetrahydronootkatone, and derivatives.
Toxicity and behavioral effects of nootkatone, 1,10-dihydronootkatone, and tetrahydronootkatone to the formosan subterranean termite (Isoptera: Rhinotermitidae).
Structure-activity of valencenoid derivatives and their repellence to the Formosan subterranean termite.

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	222.37141418457
Specific gravity	@ 20 °C
Pounds per Gallon	8.289 to 8.039
Refractive Index	1.48 to 1.496 @ 20 °C
Boiling Point	292 to 293°C @ 760 mm Hg
Vapor Pressure	0.002 mmHg @ 25 °C
Flash Point TCC Value	123 °C TCC
logP (o/w)	4.651 est
Solubility
alcohol	Yes
water	No

Odor Type: Woody
dusty, woody, fresh, green, sour, spicy, herbal, fruity, animal
General comment	At 100.00 %. dusty woody fresh green sour spicy herbal fruity animal


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 28
Click here to view publication 28
	average usual ppm	average maximum ppm
baked goods:	-	-
beverages(nonalcoholic):	0.20000	5.00000
beverages(alcoholic):	0.50000	5.00000
breakfast cereal:	-	-
cheese:	-	-
chewing gum:	1.00000	10.00000
condiments / relishes:	-	-
confectionery froastings:	0.60000	5.00000
egg products:	-	-
fats / oils:	0.50000	2.00000
fish products:	-	-
frozen dairy:	0.20000	1.00000
fruit ices:	0.20000	5.00000
gelatins / puddings:	-	-
granulated sugar:	-	-
gravies:	-	-
hard candy:	0.60000	5.00000
imitation dairy:	-	-
instant coffee / tea:	0.30000	5.00000
jams / jellies:	0.50000	2.00000
meat products:	-	-
milk products:	-	-
nut products:	-	-
other grains:	-	-
poultry:	-	-
processed fruits:	0.20000	5.00000
processed vegetables:	-	-
reconstituted vegetables:	-	-
seasonings / flavors:	0.05000	2.00000
snack foods:	-	-
soft candy:	0.60000	3.00000
soups:	-	-
sugar substitutes:	-	-
sweet sauces:	-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :73045098

National Institute of Allergy and Infectious Diseases:Data

6-isopropyl-4,4a-dimethyloctahydronaphthalen-2(1H)-one

Chemidplus:C9978TMZ6T