EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

(±)-tetrahydronootkatone
2(1H)-naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethyl)-

Sponsors

CAS Number: 38427-80-4Picture of molecule3D/inchi
XlogP3-AA:4.40 (est)
Molecular Weight:222.37142000
Formula:C15 H26 O
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
FEMA Number:4840
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 70.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99500 to 0.96500 @ 20.00 °C.
Pounds per Gallon - (est).: 8.289 to 8.039
Refractive Index:1.48000 to 1.49600 @ 20.00 °C.
Optical Rotation:+51.00 to +38.00
Boiling Point: 292.00 to 293.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 253.00 °F. TCC ( 123.00 °C. ) (est)
logP (o/w): 4.651 (est)
Soluble in:
 alcohol
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:medium
dusty woody fresh green sour spicy herbal fruity animal
Odor Description:at 100.00 %. dusty woody fresh green sour spicy herbal fruity animal
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
 
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
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.200005.00000
beverages(alcoholic): 0.500005.00000
breakfast cereal: --
cheese: --
chewing gum: 1.0000010.00000
condiments / relishes: --
confectionery froastings: 0.600005.00000
egg products: --
fats / oils: 0.500002.00000
fish products: --
frozen dairy: 0.200001.00000
fruit ices: 0.200005.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.600005.00000
imitation dairy: --
instant coffee / tea: 0.300005.00000
jams / jellies: 0.500002.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: 0.200005.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.050002.00000
snack foods: --
soft candy: 0.600003.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
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
 
References:
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
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
No odor group found for these
arnica montana flower extract
FL/FR
aldehydic
aldehydic
agrumen nitrile
FR
anise
sweet
fennel seed oil
FL/FR
balsamic
betula pubescens bud oil
FL/FR
fir balsam absolute
FR
fir balsam concrete
FR
cheesy
2-
heptanone
FL/FR
citrus
lime oil fractions
FR
alpha-
methylene citronellal
FR
neroli ketone
FR
earthy
3-
octen-2-one
FL/FR
fatty
perillaldehyde propylene glycol acetal
FL/FR
floral
cassie absolute replacer
FL/FR
glycoacetal
FR
(Z)-
jasmone
FL/FR
karo karounde absolute
FR
linalool
FL/FR
linalool terpenes
FR
melaleuca ericifolia leaf oil
FR
orange leaf absolute
FL/FR
(Z)-
rose oxide
FL/FR
terpinyl isobutyrate
FL/FR
fruity
cyclohexyl crotonate
FR
1,4-
dibutyl-6,8-dioxabicyclo(3.2.1)octane
FR
1,4-
diethyl-6,8-dioxabicyclo(3.2.1)octane
FR
1,4-
diisopropyl-6,8-dioxabicyclo(3.2.1)octane
FR
grapefruit acetal
FR
green acetate
FR
herbanate (Givaudan)
FR
green
bergoxane
FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
citral / diisotridecyl acetal
FR
fresh nitrile
FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
privet dioxane
FR
herbal
agate fragrance
FR
(+)-alpha-
campholenic aldehyde
FL/FR
canarium luzonicum oil
FL/FR
carrot seed oil (daucus carota ssp. maximus (desf.) ball)
FR
carum carvi fruit oil
FL/FR
carvacryl methyl ether
FL/FR
celery ketone
FL/FR
coriander seed concrete
FR
dehydroxylinalool oxide
FL/FR
iso
dihydrolavandulal
FL/FR
elder flower absolute (sambucus canadensis and s. nigra)
FR
herbal acetal
FR
lavender absolute bulgaria
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
T-
muurolol
FL/FR
3-
nonanol
FL/FR
nonisyl formate
FR
3-
octanon-1-ol
FL/FR
curled
parsley leaf oil
FL/FR
tricyclo(5.2.1.02,6)dec-3-enyl acetate
FR
minty
betula lenta bark oil america
FL/FR
(-)-iso
pulegol
FL/FR
iso
pulegol
FL/FR
2,4,4,6-
tetramethyl cyclohexa-2,5-diene-1-one
FR
pine
pine oil 85
FR
spicy
carrot weed oil
FL/FR
carvacryl ethyl ether
FL/FR
clove bud concrete
FR
(-)-
cubenol
FL/FR
cuminyl alcohol
FL/FR
black
currant bud absolute
FL/FR
2,5-
dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate
FR
ginger root absolute
FL/FR
hollyberry fragrance
FR
ocimum gratissimum herb oil india
FR
2-
octanol
FL/FR
origanum majorana oil
FL/FR
origanum majorana oil CO2 extract
FL/FR
outdoors specialty
FR
white
pepper oil
FL/FR
black
pepper oil CO2 extract
FL/FR
black
pepper oleoresin
FL/FR
saffron oil CO2 extract
FL/FR
terpenic
juniper branch oil
FR
alpha-
phellandrene
FL/FR
woody
bruyere root absolute
FR
cedarwood oil himalaya
FR
cedryl methyl ether
FR
cistus twig/leaf oil
FL/FR
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
humulus lupulus extract
FL/FR
moss naphthaleneol
FR
patchouli absolute
FR
sandalwood oil
FL/FR
xanthoxylum alatum roxb. oil
FR
For Flavor
No flavor group found for these
arnica montana flower extract
FL/FR
betula pubescens bud oil
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
carvacryl ethyl ether
FL/FR
carvacryl methyl ether
FL/FR
cassie absolute replacer
FL/FR
cistus twig/leaf oil
FL/FR
(±)-(cis+trans)-1,2-
dihydroperillaldehyde
FL
fleabane oil (erigeron canadensis)
FL
2-
heptyl cyclopropane carboxylic acid
FL
T-
muurolol
FL/FR
3-
nonanol
FL/FR
3-
octanon-1-ol
FL/FR
perillaldehyde propylene glycol acetal
FL/FR
terpinyl isobutyrate
FL/FR
2,4,4-
trimethyl-1,3-oxathiane
FL
hexyl 3-mercaptobutanoate
FL
anise
anise
sweet
fennel seed oil
FL/FR
buttery
bovolide
FL
cheesy
2-
heptanone
FL/FR
citrus
linalool
FL/FR
creamy
3-
octen-2-one
FL/FR
floral
orange leaf absolute
FL/FR
fruity
1-para-
menthen-9-yl acetate
FL/FR
green
(+)-alpha-
campholenic aldehyde
FL/FR
canarium luzonicum oil
FL/FR
carrot weed oil
FL/FR
celery ketone
FL/FR
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
(Z)-
rose oxide
FL/FR
herbal
carum carvi fruit oil
FL/FR
iso
dihydrolavandulal
FL/FR
lavender absolute bulgaria
FL/FR
origanum majorana oil
FL/FR
origanum majorana oil CO2 extract
FL/FR
curled
parsley leaf oil
FL/FR
minty
betula lenta bark oil america
FL/FR
(-)-iso
pulegol
FL/FR
iso
pulegol
FL/FR
orris
costus root oil
FL
spicy
sweet
bay oleoresin
FL
(-)-
cubenol
FL/FR
cuminyl alcohol
FL/FR
black
currant bud absolute
FL/FR
ginger root absolute
FL/FR
2-
octanol
FL/FR
white
pepper oil
FL/FR
black
pepper oil CO2 extract
FL/FR
black
pepper oleoresin
FL/FR
saffron oil CO2 extract
FL/FR
terpenic
alpha-
phellandrene
FL/FR
woody
dehydroxylinalool oxide
FL/FR
humulus lupulus extract
FL/FR
(Z)-
jasmone
FL/FR
sandalwood oil
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
2(1H)-naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethyl)-
(+)-(4R,4aS,6R,8aS)-6-isopropyl-4,4a-dimethyl octahydronaphthalen-2(1H)-one
6-isopropyl-4,4a-dimethyloctahydronaphthalen-2(1H)-one
((+)-(4R,4aS,6R,8aS)-tetrahydronootkatone
 
 
Notes:
None found
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