dehydronootkatone
4betaH,5alpha-eremophila-1(10),8,11-trien-2-one
 
Notes:
Used as a food additive [EAFUS]
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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
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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
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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)
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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).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
DEHYDRONOOTKATONE
Parchem
dehydronootkatone
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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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
Click here to view publication 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: --
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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
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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
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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
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Potential Blenders and core components note
 
For Odor
aldehydic
aldehydic
(Z)-4-dodecenalFL/FR
 tridecanalFL/FR
anisic
 ethyl para-anisateFL/FR
citrus
beta-bisabololFL/FR
 citral dimethyl acetalFL/FR
 citrus grandis fruit extractFL/FR
 citrus grandis peel oilFL/FR
 citrus paradisi peel extractFL/FR
 citrus paradisi peel oil bergaptene reducedFL/FR
 citrus paradisi peel oil washedFL/FR
 citrus paradisi peel waterFL/FR
2-dodecanoneFL/FR
 grapefruit carbonylsFL/FR
 grapefruit essenceFL/FR
 grapefruit mercaptanFL/FR
 grapefruit oilFL/FR
 grapefruit oil c.p. argentinaFL/FR
 grapefruit oil c.p. californiaFL/FR
 grapefruit oil c.p. floridaFL/FR
 grapefruit oil c.p. israelFL/FR
 grapefruit oil CO2 extract (citrus paradisi macf. var. falvedo)FL/FR
 grapefruit oil foldedFL/FR
 grapefruit oil folded californiaFL/FR
 grapefruit oil folded floridaFL/FR
 grapefruit oil replacerFL/FR
 grapefruit oil terpenelessFL/FR
 grapefruit oil terpenesFL/FR
 lemon oil residuesFL/FR
5-mercapto-5-methyl-3-hexanoneFL/FR
(Z+E)-2-methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehydeFL/FR
1-methyl-4-methyl ethenyl cyclohexene sulfurizedFL/FR
(+)-nootkatoneFL/FR
wild sweet orange peel oil west indianFL/FR
alpha-terpinyl methyl etherFL/FR
(±)-2,4,8-trimethyl-7-nonen-2-olFL/FR
 valenceneFL/FR
creamy
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
ethereal
 ethyl acetateFL/FR
2-methyl valeraldehydeFL/FR
floral
 allyl anthranilateFL/FR
 amyl anthranilateFL/FR
 bursera graveolens wood oilFL/FR
 citronellyl acetateFL/FR
beta-damascenoneFL/FR
 dimethyl anthranilateFL/FR
 ethyl anthranilateFL/FR
 ethyl ortho-anisateFL/FR
 geranyl tiglateFL/FR
 linalyl anthranilateFL/FR
beta-naphthyl anthranilateFL/FR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 petitgrain grapefruit oilFL/FR
 petitgrain mandarin oilFL/FR
 petitgrain mandarin oil terpenelessFL/FR
 phenethyl anthranilateFL/FR
4-phenyl-3-buten-2-olFL/FR
 terpinyl formateFL/FR
fruity
 acetoin acetateFL/FR
isoamyl 2-methyl butyrateFL/FR
isobutyl 2-methyl butyrateFL/FR
isobutyl anthranilateFL/FR
 butyl anthranilateFL/FR
isobutyl methyl anthranilateFL/FR
(E)-cinnamyl propionateFL/FR
 cyclohexyl anthranilateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl citronellateFL/FR
 ethyl propionateFL/FR
 grape butyrateFL/FR
 grape essenceFL/FR
3-hexanoneFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl acetoacetateFL/FR
 methyl anthranilateFL/FR
 neryl propionateFL/FR
(Z)-3-octen-1-yl propionateFL/FR
3-phenyl propyl isobutyrateFL/FR
 propyl heptanoateFL/FR
 tropical trithianeFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
dextro-limonene oxideFL/FR
herbal
6-acetoxydihydrotheaspiraneFL/FR
2-dodecenalFL/FR
(1S,5R)-myrtenyl acetateFL/FR
3-octyl acetateFL/FR
alpha-terpinyl acetateFL/FR
minty
 ethyl benzoateFL/FR
naphthyl
beta-naphthyl ethyl etherFL/FR
pulpy
 grapefruit isolateFL/FR
spicy
 cinnamyl propionateFL/FR
sulfurous
 ethyl 3-mercaptopropionateFL/FR
 grapefruit menthaneFL/FR
4-methoxy-2-methyl butane thiolFL/FR
3-thiohexanolFL/FR
4-tropical oxathianeFL/FR
waxy
3-decanoneFL/FR
 ethyl decanoateFL/FR
 ethyl nonanoateFL/FR
 
For Flavor
 
No flavor group found for these
6-acetoxydihydrotheaspiraneFL/FR
 allyl anthranilateFL/FR
 amyl anthranilateFL/FR
 bursera graveolens wood oilFL/FR
isobutyl methyl anthranilateFL/FR
(E)-cinnamyl propionateFL/FR
beta-cubebeneFL
3-decanoneFL/FR
 dihydronootkatoneFL
(Z)-4-dodecenalFL/FR
 ethyl 3-mercaptopropionateFL/FR
 ethyl ortho-anisateFL/FR
 lemon oil residuesFL/FR
4-mercapto-4-methyl-2-pentanolFL
5-mercapto-5-methyl-3-hexanoneFL/FR
3-mercaptooctanalFL
 methyl acetoacetateFL/FR
(Z+E)-2-methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehydeFL/FR
dextro-limonene oxideFL/FR
anise
 ethyl para-anisateFL/FR
citrus
beta-bisabololFL/FR
 citral dimethyl acetalFL/FR
 citrus grandis fruit extractFL/FR
 citrus grandis peel oilFL/FR
 citrus paradisi peel extractFL/FR
 citrus paradisi peel oil bergaptene reducedFL/FR
 citrus paradisi peel oil washedFL/FR
 citrus paradisi peel waterFL/FR
 grapefruit carbonylsFL/FR
 grapefruit essenceFL/FR
pink grapefruit flavorFL
 grapefruit flavorFL
 grapefruit green flavorFL
 grapefruit juiceFL
 grapefruit keyFL
 grapefruit mercaptanFL/FR
 grapefruit oilFL/FR
 grapefruit oil c.p. argentinaFL/FR
 grapefruit oil c.p. californiaFL/FR
 grapefruit oil c.p. floridaFL/FR
 grapefruit oil c.p. israelFL/FR
 grapefruit oil CO2 extract (citrus paradisi macf. var. falvedo)FL/FR
 grapefruit oil foldedFL/FR
 grapefruit oil folded californiaFL/FR
 grapefruit oil folded floridaFL/FR
 grapefruit oil replacerFL/FR
 grapefruit oil sesquiterpenelessFL
 grapefruit oil terpenelessFL/FR
 grapefruit oil terpenesFL/FR
 lemon carbonylsFL
3-mercaptoheptyl acetateFL
1-methyl-4-methyl ethenyl cyclohexene sulfurizedFL/FR
(+)-nootkatoneFL/FR
wild sweet orange peel oil west indianFL/FR
 petitgrain grapefruit oilFL/FR
 petitgrain mandarin oilFL/FR
 pomelo essence oilFL
 pomelo flavorFL
(±)-2,4,8-trimethyl-7-nonen-2-olFL/FR
 valenceneFL/FR
dusty
 ethyl citronellateFL/FR
earthy
(±)-2-mercapto-5-methylheptan-4-oneFL
ethereal
 ethyl acetateFL/FR
fatty
(E,E)-2,4-dodecadienalFL
2-dodecanoneFL/FR
2-dodecenalFL/FR
floral
 cinnamyl propionateFL/FR
 citronellyl acetateFL/FR
 geranyl tiglateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
 linalyl anthranilateFL/FR
 neryl acetateFL/FR
 phenethyl anthranilateFL/FR
fruity
 acetoin acetateFL/FR
isoamyl 2-methyl butyrateFL/FR
isobutyl 2-methyl butyrateFL/FR
isobutyl anthranilateFL/FR
 butyl anthranilateFL/FR
 cyclohexyl anthranilateFL/FR
 dimethyl anthranilateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl anthranilateFL/FR
 ethyl propionateFL/FR
 furfuryl butyrateFL
 furfuryl isovalerateFL
 grape concentrateFL
 grape enhancerFL
 grape essenceFL/FR
muscatine grape flavorFL
white grape flavorFL
red grape flavorFL
green grape flavorFL
concord grape flavorFL
 grape flavorFL
 grape juice concentrateFL
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
3-hexanoneFL/FR
 mango papaya grapefruit flavorFL
 methyl 2-methyl valerateFL/FR
 methyl anthranilateFL/FR
beta-naphthyl anthranilateFL/FR
 neryl isovalerateFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 petitgrain mandarin oil terpenelessFL/FR
3-phenyl propyl isobutyrateFL/FR
 terpinyl formateFL/FR
4-tropical oxathianeFL/FR
 tropical trithianeFL/FR
green
 grape butyrateFL/FR
(E)-2-heptenalFL
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
 neryl propionateFL/FR
3-octyl acetateFL/FR
medicinal
 ethyl benzoateFL/FR
musty
 propionaldehydeFL
powdery
beta-naphthyl ethyl etherFL/FR
pulpy
 grapefruit isolateFL/FR
sulfurous
 grapefruit menthaneFL/FR
4-methoxy-2-methyl butane thiolFL/FR
3-thiohexanolFL/FR
tropical
 anacardium occidentale fruit pureeFL
vegetable
2-methyl valeraldehydeFL/FR
waxy
 ethyl decanoateFL/FR
 ethyl nonanoateFL/FR
4-phenyl-3-buten-2-olFL/FR
 propyl heptanoateFL/FR
 tridecanalFL/FR
woody
beta-damascenoneFL/FR
(1S,5R)-myrtenyl acetateFL/FR
alpha-terpinyl acetateFL/FR
alpha-terpinyl methyl etherFL/FR
 
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Potential Uses:
 citrusFL
 grapefruitFL
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Occurrence (nature, food, other): note
 found in nature
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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))-
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Articles:
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