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

dihydronootkatone
4beta,5alpha-eremophil-11-en-2-one

Supplier Sponsors

Name:(4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyl-decalin-2-one
CAS Number: 20489-53-6Picture of molecule3D/inchi
FDA UNII:V06626C1NF
XlogP3-AA:4.30 (est)
Molecular Weight:220.35548000
Formula:C15 H24 O
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
CASrn in Register refers to (4R,4aS,6R,8aS)-stereoisomer. Register name to be changed accordingly. According to JECFA "Min. assay value is (90 %) and secondary components (5-6% nootkatone)".
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Pubchem Patents:Search
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NCBI:Search
JECFA Food Flavoring:1407 dihydronootkatone
FLAVIS Number:07.153 (Old)
DG SANTE Food Flavourings:07.153 (4R,4aS,6R,8aS)-1,10-dihydronootkatone
FEMA Number:3776 dihydronootkatone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):20489-53-6 ; DIHYDRONOOTKATONE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 90.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.97500 to 0.98800 @ 20.00 °C.
Pounds per Gallon - (est).: 8.122 to 8.231
Specific Gravity:0.97500 to 0.98800 @ 25.00 °C.
Pounds per Gallon - est.: 8.113 to 8.221
Refractive Index:1.50200 to 1.50800 @ 20.00 °C.
Boiling Point: 298.00 to 299.00 °C. @ 760.00 mm Hg
Boiling Point: 100.00 to 104.00 °C. @ 0.07 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 4.346 (est)
Soluble in:
 alcohol
 water, 3.456 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength:medium
citrus peel grapefruit
Odor Description:at 100.00 %. citrus fruit grapefruit
Odor and/or flavor descriptions from others (if found).
Lluch Essence
DIHYDRONOOTKATONE
Odor Description:FRUITY, CITRIC
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2(1H)-Naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R,8aS)-
Frutarom
DIHYDRONOOTKATONE
Lluch Essence
DIHYDRONOOTKATONE
Odor: FRUITY, CITRIC
Penta International
DIHYDRONOOTKATONE
Synerzine
Dihydronootkatone
Taytonn
Dihydronootkatone
 
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:
oral-rat LD50 > 5 ml/kg
(Sedlacek, 1985)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for dihydronootkatone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.90 (μg/capita/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
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: 16
Click here to view publication 16
 average usual ppmaverage maximum ppm
baked goods: 1.500004.00000
beverages(nonalcoholic): 0.200000.30000
beverages(alcoholic): 0.500001.50000
breakfast cereal: --
cheese: --
chewing gum: 5.0000010.00000
condiments / relishes: --
confectionery froastings: 0.500001.50000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.700002.00000
fruit ices: 0.600001.80000
gelatins / puddings: 1.000003.00000
granulated sugar: 0.500001.50000
gravies: --
hard candy: 1.000003.00000
imitation dairy: --
instant coffee / tea: 0.200000.50000
jams / jellies: 0.800002.50000
meat products: --
milk products: 0.500001.50000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 1.000003.00000
snack foods: --
soft candy: 1.000003.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 47, (FGE.47)[1] - Bicyclic secondary alcohols, ketones and related esters from chemical group 8 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 87, (FGE.87)[1] - Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 87 Revision 1 (FGE.87Rev1): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 87, Revision 2 (FGE.87Rev2): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47Rev1 (2008)
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6427078
National Institute of Allergy and Infectious Diseases:Data
(4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyl-decalin-2-one
Chemidplus:0020489536
 
References:
 (4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyl-decalin-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6427078
Pubchem (sid):135304054
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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB32220
FooDB:FDB009290
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(Z)-8-
tetradecenal
FL/FR
aldehydic
aldehydic
(Z)-4-
dodecenal
FL/FR
tridecanal
FL/FR
citrus
2-
dodecanone
FL/FR
grapefruit mercaptan
FL/FR
grapefruit oil c.p. california
FL/FR
grapefruit oil CO2 extract (citrus paradisi macf. var. falvedo)
FL/FR
grapefruit oil terpeneless
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
petitgrain mandarin oil replacer
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
2-
methyl valeraldehyde
FL/FR
floral
bursera graveolens wood oil
FL/FR
citronellyl acetate
FL/FR
ethyl anthranilate
FL/FR
geranyl tiglate
FL/FR
neryl acetate
FL/FR
neryl isovalerate
FL/FR
petitgrain mandarin oil
FL/FR
terpinyl formate
FL/FR
fruity
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
cyclohexyl anthranilate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl citronellate
FL/FR
ethyl isobutyrate
FL/FR
grape butyrate
FL/FR
(Z)-3-
hexen-1-yl anthranilate
FL/FR
methyl acetoacetate
FL/FR
methyl anthranilate
FL/FR
iso
propyl isobutyrate
FL/FR
(E)-2-
undecenal
FL/FR
green
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
sulfurous
ethyl 3-mercaptopropionate
FL/FR
grapefruit menthane
FL/FR
waxy
3-
decanone
FL/FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
bursera graveolens wood oil
FL/FR
iso
butyl methyl anthranilate
FL/FR
beta-
cubebene
FL
3-
decanone
FL/FR
(Z)-4-
dodecenal
FL/FR
ethyl 3-mercaptopropionate
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
iso
propyl isobutyrate
FL/FR
(Z)-8-
tetradecenal
FL/FR
dextro-
limonene oxide
FL/FR
citrus
citrus
dehydronootkatone
FL
grapefruit mercaptan
FL/FR
grapefruit oil c.p. california
FL/FR
grapefruit oil CO2 extract (citrus paradisi macf. var. falvedo)
FL/FR
grapefruit oil terpeneless
FL/FR
1-
methyl-4-methyl ethenyl cyclohexene sulfurized
FL/FR
(+)-
nootkatone
FL/FR
petitgrain mandarin oil
FL/FR
petitgrain mandarin oil replacer
FL/FR
(±)-2,4,8-
trimethyl-7-nonen-2-ol
FL/FR
valencene
FL/FR
dusty
ethyl citronellate
FL/FR
ethereal
ethyl isobutyrate
FL/FR
fatty
(E,E)-2,4-
dodecadienal
FL
2-
dodecanone
FL/FR
2-
dodecenal
FL/FR
floral
citronellyl acetate
FL/FR
geranyl tiglate
FL/FR
(Z)-3-
hexen-1-yl anthranilate
FL/FR
neryl acetate
FL/FR
fruity
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
ethyl 3-hydroxyhexanoate
FL/FR
ethyl anthranilate
FL/FR
furfuryl butyrate
FL
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
methyl anthranilate
FL/FR
neryl isovalerate
FL/FR
terpinyl formate
FL/FR
green
grape butyrate
FL/FR
(E)-2-
heptenal
FL
3-
octyl acetate
FL/FR
sulfurous
grapefruit menthane
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
tridecanal
FL/FR
(E)-2-
undecenal
FL/FR
woody
(1S,5R)-
myrtenyl acetate
FL/FR
alpha-
terpinyl methyl ether
FL/FR
 
Potential Uses:
FLcitrus
FLfruit tropical fruit
FRginger root oil replacer
FLgrapefruit
 
Occurrence (nature, food, other):note
 banana fruit
Search Trop Picture
 grapefruit juice
Search Trop Picture
 
Synonyms:
(4R,4aS,6R,8aS)-1,10-dihydronootkatone
1,10-dihydronootkatone
(4R,4aS,6R,8aS)-4,4a-dimethyl-6-(prop-1-en-2-yl)octahydronaphthalen-2(1H)-one
(4R,4aS,6R,8aS)-4,4a-dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
4beta,5alpha-eremophil-11-en-2-one
2(1H)-naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R,8aS)-
(4R-(4alpha, 4aalpha,6beta,8abeta))-octahydro-4,4a-dimethyl-6-(1-methyl ethenyl)-2(1H)-naphthalenone
(4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyl-decalin-2-one
 
 
Notes:
Used as a food additive [EAFUS]
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