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

dehydronootkatone
4betaH,5alpha-eremophila-1(10),8,11-trien-2-one

Supplier Sponsors

Name:(4R,4aS,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
CAS Number: 5090-63-1Picture of molecule3D/inchi
FDA UNII:T1450990SD
Nikkaji Web:J1.973.329G
XlogP3-AA:3.80 (est)
Molecular Weight:216.32360000
Formula:C15 H20 O
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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
JECFA Food Flavoring:1862 dehydronootkatone
FEMA Number:4091 dehydronootkatone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):5090-63-1 ; DEHYDRONOOTKATONE
 
Physical Properties:
Appearance:pale yellow to brown clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.00900 to 1.01900 @ 25.00 °C.
Pounds per Gallon - (est).: 8.396 to 8.479
Refractive Index:1.55900 to 1.56900 @ 20.00 °C.
Boiling Point: 129.00 to 130.00 °C. @ 760.00 mm Hg
Soluble in:
 water, 3.715 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength:medium
fruity citrus grapefruit
Odor Description:at 100.00 %. fruity citrus grapefruit
Flavor Type: citrus
grapefruit
Taste Description: grapefruit
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
DEHYDRONOOTKATONE
Parchem
dehydronootkatone
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: flavoring agents
Recommendation for dehydronootkatone usage levels up to:
 not for fragrance use.
 
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: 22
 average usual ppmaverage maximum ppm
baked goods: 1.500005.00000
beverages(nonalcoholic): 0.500001.50000
beverages(alcoholic): 0.500001.50000
breakfast cereal: --
cheese: --
chewing gum: 5.0000010.00000
condiments / relishes: --
confectionery froastings: 0.500002.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.500001.50000
fruit ices: 0.500001.50000
gelatins / puddings: --
granulated sugar: 0.100000.50000
gravies: --
hard candy: 1.000005.00000
imitation dairy: --
instant coffee / tea: 0.100000.50000
jams / jellies: 0.500001.50000
meat products: --
milk products: 0.500001.50000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.500001.50000
snack foods: --
soft candy: 1.000005.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :71586808
National Institute of Allergy and Infectious Diseases:Data
(4R,4aS,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
Chemidplus:0005090631
 
References:
 (4R,4aS,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):71586808
Pubchem (sid):135299986
 
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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
FooDB:FDB009276
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
(Z)-4-
dodecenal
FL/FR
tridecanal
FL/FR
anisic
ethyl para-anisate
FL/FR
citrus
beta-
bisabolol
FL/FR
citral dimethyl acetal
FL/FR
citrus grandis fruit extract
FL/FR
citrus grandis peel oil
FL/FR
citrus paradisi peel extract
FL/FR
citrus paradisi peel oil bergaptene reduced
FL/FR
citrus paradisi peel oil washed
FL/FR
citrus paradisi peel water
FL/FR
2-
dodecanone
FL/FR
grapefruit carbonyls
FL/FR
grapefruit essence
FL/FR
grapefruit mercaptan
FL/FR
grapefruit oil
FL/FR
grapefruit oil c.p. argentina
FL/FR
grapefruit oil c.p. california
FL/FR
grapefruit oil c.p. florida
FL/FR
grapefruit oil c.p. israel
FL/FR
grapefruit oil CO2 extract (citrus paradisi macf. var. falvedo)
FL/FR
grapefruit oil folded
FL/FR
grapefruit oil folded california
FL/FR
grapefruit oil folded florida
FL/FR
grapefruit oil replacer
FL/FR
grapefruit oil terpeneless
FL/FR
grapefruit oil terpenes
FL/FR
lemon oil residues
FL/FR
5-
mercapto-5-methyl-3-hexanone
FL/FR
(Z+E)-2-
methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehyde
FL/FR
1-
methyl-4-methyl ethenyl cyclohexene sulfurized
FL/FR
(+)-
nootkatone
FL/FR
wild sweet
orange peel oil west indian
FL/FR
alpha-
terpinyl methyl ether
FL/FR
(±)-2,4,8-
trimethyl-7-nonen-2-ol
FL/FR
valencene
FL/FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
ethereal
ethyl acetate
FL/FR
2-
methyl valeraldehyde
FL/FR
floral
allyl anthranilate
FL/FR
amyl anthranilate
FL/FR
bursera graveolens wood oil
FL/FR
citronellyl acetate
FL/FR
beta-
damascenone
FL/FR
dimethyl anthranilate
FL/FR
ethyl anthranilate
FL/FR
ethyl ortho-anisate
FL/FR
geranyl tiglate
FL/FR
linalyl anthranilate
FL/FR
beta-
naphthyl anthranilate
FL/FR
neryl acetate
FL/FR
neryl isovalerate
FL/FR
petitgrain grapefruit oil
FL/FR
petitgrain mandarin oil
FL/FR
petitgrain mandarin oil terpeneless
FL/FR
phenethyl anthranilate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
terpinyl formate
FL/FR
fruity
acetoin acetate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
iso
butyl 2-methyl butyrate
FL/FR
butyl anthranilate
FL/FR
iso
butyl anthranilate
FL/FR
iso
butyl methyl anthranilate
FL/FR
(E)-
cinnamyl propionate
FL/FR
cyclohexyl anthranilate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl citronellate
FL/FR
ethyl propionate
FL/FR
grape butyrate
FL/FR
grape essence
FL/FR
3-
hexanone
FL/FR
(Z)-3-
hexen-1-yl anthranilate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl acetoacetate
FL/FR
methyl anthranilate
FL/FR
neryl propionate
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
propyl heptanoate
FL/FR
tropical trithiane
FL/FR
green
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
dextro-
limonene oxide
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
2-
dodecenal
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
3-
octyl acetate
FL/FR
alpha-
terpinyl acetate
FL/FR
minty
ethyl benzoate
FL/FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
pulpy
grapefruit isolate
FL/FR
spicy
cinnamyl propionate
FL/FR
sulfurous
ethyl 3-mercaptopropionate
FL/FR
grapefruit menthane
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
3-
thiohexanol
FL/FR
4-
tropical oxathiane
FL/FR
waxy
3-
decanone
FL/FR
ethyl decanoate
FL/FR
ethyl nonanoate
FL/FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
allyl anthranilate
FL/FR
amyl anthranilate
FL/FR
bursera graveolens wood oil
FL/FR
iso
butyl methyl anthranilate
FL/FR
(E)-
cinnamyl propionate
FL/FR
beta-
cubebene
FL
3-
decanone
FL/FR
dihydronootkatone
FL
(Z)-4-
dodecenal
FL/FR
ethyl 3-mercaptopropionate
FL/FR
ethyl ortho-anisate
FL/FR
lemon oil residues
FL/FR
4-
mercapto-4-methyl-2-pentanol
FL
5-
mercapto-5-methyl-3-hexanone
FL/FR
3-
mercaptooctanal
FL
methyl acetoacetate
FL/FR
(Z+E)-2-
methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehyde
FL/FR
dextro-
limonene oxide
FL/FR
anise
anise
ethyl para-anisate
FL/FR
citrus
beta-
bisabolol
FL/FR
citral dimethyl acetal
FL/FR
citrus grandis fruit extract
FL/FR
citrus grandis peel oil
FL/FR
citrus paradisi peel extract
FL/FR
citrus paradisi peel oil bergaptene reduced
FL/FR
citrus paradisi peel oil washed
FL/FR
citrus paradisi peel water
FL/FR
grapefruit carbonyls
FL/FR
grapefruit essence
FL/FR
grapefruit flavor
FL
pink
grapefruit flavor
FL
grapefruit green flavor
FL
grapefruit juice
FL
grapefruit key
FL
grapefruit mercaptan
FL/FR
grapefruit oil
FL/FR
grapefruit oil c.p. argentina
FL/FR
grapefruit oil c.p. california
FL/FR
grapefruit oil c.p. florida
FL/FR
grapefruit oil c.p. israel
FL/FR
grapefruit oil CO2 extract (citrus paradisi macf. var. falvedo)
FL/FR
grapefruit oil folded
FL/FR
grapefruit oil folded california
FL/FR
grapefruit oil folded florida
FL/FR
grapefruit oil replacer
FL/FR
grapefruit oil sesquiterpeneless
FL
grapefruit oil terpeneless
FL/FR
grapefruit oil terpenes
FL/FR
lemon carbonyls
FL
3-
mercaptoheptyl acetate
FL
1-
methyl-4-methyl ethenyl cyclohexene sulfurized
FL/FR
(+)-
nootkatone
FL/FR
wild sweet
orange peel oil west indian
FL/FR
petitgrain grapefruit oil
FL/FR
petitgrain mandarin oil
FL/FR
pomelo essence oil
FL
pomelo flavor
FL
(±)-2,4,8-
trimethyl-7-nonen-2-ol
FL/FR
valencene
FL/FR
dusty
ethyl citronellate
FL/FR
earthy
(±)-2-
mercapto-5-methylheptan-4-one
FL
ethereal
ethyl acetate
FL/FR
fatty
(E,E)-2,4-
dodecadienal
FL
2-
dodecanone
FL/FR
2-
dodecenal
FL/FR
floral
cinnamyl propionate
FL/FR
citronellyl acetate
FL/FR
geranyl tiglate
FL/FR
(Z)-3-
hexen-1-yl anthranilate
FL/FR
linalyl anthranilate
FL/FR
neryl acetate
FL/FR
phenethyl anthranilate
FL/FR
fruity
acetoin acetate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
iso
butyl 2-methyl butyrate
FL/FR
butyl anthranilate
FL/FR
iso
butyl anthranilate
FL/FR
cyclohexyl anthranilate
FL/FR
dimethyl anthranilate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl anthranilate
FL/FR
ethyl propionate
FL/FR
furfuryl butyrate
FL
furfuryl isovalerate
FL
grape concentrate
FL
grape enhancer
FL
grape essence
FL/FR
grape flavor
FL
red
grape flavor
FL
white
grape flavor
FL
muscatine
grape flavor
FL
green
grape flavor
FL
concord
grape flavor
FL
grape juice concentrate
FL
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
3-
hexanone
FL/FR
mango papaya grapefruit flavor
FL
methyl 2-methyl valerate
FL/FR
methyl anthranilate
FL/FR
beta-
naphthyl anthranilate
FL/FR
neryl isovalerate
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
petitgrain mandarin oil terpeneless
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
terpinyl formate
FL/FR
4-
tropical oxathiane
FL/FR
tropical trithiane
FL/FR
green
grape butyrate
FL/FR
(E)-2-
heptenal
FL
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
neryl propionate
FL/FR
3-
octyl acetate
FL/FR
medicinal
ethyl benzoate
FL/FR
musty
propionaldehyde
FL
powdery
beta-
naphthyl ethyl ether
FL/FR
pulpy
grapefruit isolate
FL/FR
sulfurous
grapefruit menthane
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
3-
thiohexanol
FL/FR
tropical
anacardium occidentale fruit puree
FL
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
ethyl decanoate
FL/FR
ethyl nonanoate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
propyl heptanoate
FL/FR
tridecanal
FL/FR
woody
beta-
damascenone
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
alpha-
terpinyl acetate
FL/FR
alpha-
terpinyl methyl ether
FL/FR
 
Potential Uses:
FLcitrus
FLgrapefruit
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
(4R,4aS,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
(4R-(4alpha,4aalpha,6beta))-5,6-dimethyl-8-isopropenyl bicyclo(4.4.0)-1,9-decadien-3-one
4betaH,5alpha-eremophila-1(10),8,11-trien-2-one
2(3H)-naphthalenone, 4,4a,5,6-tetrahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R-(4alpha,4aalpha,6beta))-
 

Articles:

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Notes:
Used as a food additive [EAFUS]
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