(±)-tetrahydronootkatone
2(1H)-naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethyl)-
 
Notes:
None found
Synonyms   Articles   Notes   Search
6-isopropyl-4,4a-dimethyloctahydronaphthalen-2(1H)-one (Click)
CAS Number: 38427-80-4Picture of molecule
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
  
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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: --
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
 arnica montana flower extractFL/FR
(-)-gamma-elemene 
aldehydic
 agrumen nitrileFR
anise
sweet fennel seed oilFL/FR
balsamic
 betula pubescens bud oilFL/FR
 fir balsam absoluteFR
 fir balsam concreteFR
cheesy
2-heptanoneFL/FR
citrus
 lime oil fractionsFR
alpha-methylene citronellalFR
 neroli ketoneFR
earthy
3-octen-2-oneFL/FR
fatty
 perillaldehyde propylene glycol acetalFL/FR
floral
 cassie absolute replacerFL/FR
 glycoacetalFR
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 linaloolFL/FR
 linalool terpenesFR
 melaleuca ericifolia leaf oilFR
 orange leaf absoluteFL/FR
(Z)-rose oxideFL/FR
 terpinyl isobutyrateFL/FR
fruity
 cyclohexyl crotonateFR
1,4-dibutyl-6,8-dioxabicyclo(3.2.1)octaneFR
1,4-diethyl-6,8-dioxabicyclo(3.2.1)octaneFR
1,4-diisopropyl-6,8-dioxabicyclo(3.2.1)octaneFR
1,2-dimethyl propyl 2-butenoate 
 grapefruit acetalFR
 green acetateFR
 herbanate (Givaudan)FR
green
 bergoxaneFR
 bicyclogermacrene 
sec-butyl-3-methyl but-2-ene thioateFL/FR
 citral / diisotridecyl acetalFR
 fresh nitrileFR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
 privet dioxaneFR
 tricyclene-9-butenone 
2,2,4-trimethyl-1,3-oxathiane 
herbal
 agate fragranceFR
(+)-alpha-campholenic aldehydeFL/FR
 canarium luzonicum oilFL/FR
 carrot seed oil (daucus carota ssp. maximus (desf.) ball)FR
 carum carvi fruit oilFL/FR
 carvacryl methyl etherFL/FR
 celery ketoneFL/FR
 coriander seed concreteFR
 dehydroxylinalool oxideFL/FR
isodihydrolavandulalFL/FR
 elder flower absolute (sambucus canadensis and s. nigra)FR
 herbal acetalFR
 lavender absolute bulgariaFL/FR
1-para-menthen-9-yl acetateFL/FR
T-muurololFL/FR
3-nonanolFL/FR
 nonisyl formateFR
3-octanon-1-olFL/FR
curled parsley leaf oilFL/FR
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
minty
 betula lenta bark oil americaFL/FR
isopulegolFL/FR
(-)-isopulegolFL/FR
2,4,4,6-tetramethyl cyclohexa-2,5-diene-1-oneFR
pine
 pine oil 85FR
 carrot weed oilFL/FR
 carvacryl ethyl etherFL/FR
 clove bud concreteFR
(-)-cubenolFL/FR
 cuminyl alcoholFL/FR
black currant bud absoluteFL/FR
2,5-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetateFR
 ginger root absoluteFL/FR
(R)-gamma-heptalactone 
 hollyberry fragranceFR
sweet marjoram oil (origanum majorana var. tenuifolium weston) cyprus 
(S)-4-methyl-1-hexanol 
 ocimum gratissimum herb oil indiaFR
2-octanolFL/FR
 origanum majorana oilFL/FR
 origanum majorana oil CO2 extractFL/FR
 outdoors specialtyFR
white pepper oilFL/FR
black pepper oil CO2 extractFL/FR
black pepper oleoresinFL/FR
 saffron oil CO2 extractFL/FR
terpenic
 juniper branch oilFR
alpha-phellandreneFL/FR
woody
ar-abietatriene 
 bruyere root absoluteFR
 cedarwood oil himalayaFR
 cedryl methyl etherFR
 cistus twig/leaf oilFL/FR
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 furfuryl thenyl ether 
 humulus lupulus extractFL/FR
 moss naphthaleneolFR
 patchouli absoluteFR
 sandalwood oilFL/FR
alpha-thujene 
 xanthoxylum alatum roxb. oilFR
 
For Flavor
 
No flavor group found for these
ar-abietatriene 
 arnica montana flower extractFL/FR
 betula pubescens bud oilFL/FR
 bicyclogermacrene 
sec-butyl-3-methyl but-2-ene thioateFL/FR
 carvacryl ethyl etherFL/FR
 carvacryl methyl etherFL/FR
 cassie absolute replacerFL/FR
 cistus twig/leaf oilFL/FR
(±)-(cis+trans)-1,2-dihydroperillaldehydeFL
1,2-dimethyl propyl 2-butenoate 
(-)-gamma-elemene 
 fleabane oil (erigeron canadensis)FL
 furfuryl thenyl ether 
(R)-gamma-heptalactone 
2-heptyl cyclopropane carboxylic acidFL
sweet marjoram oil (origanum majorana var. tenuifolium weston) cyprus 
(S)-4-methyl-1-hexanol 
T-muurololFL/FR
3-nonanolFL/FR
3-octanon-1-olFL/FR
 perillaldehyde propylene glycol acetalFL/FR
 terpinyl isobutyrateFL/FR
alpha-thujene 
 tricyclene-9-butenone 
2,2,4-trimethyl-1,3-oxathiane 
2,4,4-trimethyl-1,3-oxathianeFL
 hexyl 3-mercaptobutanoateFL
anise
sweet fennel seed oilFL/FR
buttery
 bovolideFL
cheesy
2-heptanoneFL/FR
citrus
 linaloolFL/FR
creamy
3-octen-2-oneFL/FR
floral
 orange leaf absoluteFL/FR
fruity
1-para-menthen-9-yl acetateFL/FR
green
(+)-alpha-campholenic aldehydeFL/FR
 canarium luzonicum oilFL/FR
 carrot weed oilFL/FR
 celery ketoneFL/FR
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
(Z)-rose oxideFL/FR
herbal
 carum carvi fruit oilFL/FR
isodihydrolavandulalFL/FR
 lavender absolute bulgariaFL/FR
 origanum majorana oilFL/FR
 origanum majorana oil CO2 extractFL/FR
curled parsley leaf oilFL/FR
minty
 betula lenta bark oil americaFL/FR
(-)-isopulegolFL/FR
isopulegolFL/FR
orris
 costus root oilFL
spicy
sweet bay oleoresinFL
(-)-cubenolFL/FR
 cuminyl alcoholFL/FR
black currant bud absoluteFL/FR
 ginger root absoluteFL/FR
2-octanolFL/FR
white pepper oilFL/FR
black pepper oil CO2 extractFL/FR
black pepper oleoresinFL/FR
 saffron oil CO2 extractFL/FR
terpenic
alpha-phellandreneFL/FR
woody
 dehydroxylinalool oxideFL/FR
 humulus lupulus extractFL/FR
(Z)-jasmoneFL/FR
 sandalwood oilFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
None Found
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 found in nature
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Synonyms   Articles   Notes   Search   Top
Please share your Comments.
Email Address:
 
 
 
 
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy