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

(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
(E) & (Z)-4,8-dimethyl-3,7-nonadien-2-one

Supplier Sponsors

Name:4,8-dimethylnona-3,7-dien-2-one
CAS Number: 817-88-9Picture of molecule3D/inchi
FDA UNII:560T9FW4IA
Nikkaji Web:J352.497C
XlogP3-AA:3.30 (est)
Molecular Weight:166.26366000
Formula:C11 H18 O
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(E+Z)-4,8-dimethyl-3,7-nonadien-2-ol
EFSA/JECFA Comments:
Mixture of E/Z stereoisomers: 60-90 % (E) (EFFA, 2012c). Register name to be changed to 4,8-Dimethyl-3,7-nonadiene-2-one. At least 94%; secondary component 3-4% 4,8-dimethyl-3,7-nonadien-2-ol. (EFSA)
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
JECFA Food Flavoring:1137 (E) & (Z)-4,8-dimethyl-3,7-nonadien-2-one
FLAVIS Number:07.256 (Old)
DG SANTE Food Flavourings:07.256 (E) & (Z)-4,8-dimethyl-3,7-nonadien-2-one
FEMA Number:3969 (E) & (Z)-4,8-dimethyl-3,7-nonadien-2-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):817-88-9 ; 4,8-DIMETHYL-3,7-NONADIEN-2-ONE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 94.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86900 to 0.87500 @ 25.00 °C.
Pounds per Gallon - (est).: 7.231 to 7.281
Refractive Index:1.47300 to 1.47700 @ 20.00 °C.
Boiling Point: 200.00 to 201.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.022000 mmHg @ 25.00 °C. (est)
Flash Point: 216.00 °F. TCC ( 102.40 °C. ) (est)
logP (o/w): 3.218 (est)
Soluble in:
 alcohol
 water, 47.5 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:medium
Odor Description:at 100.00 %. floral fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
(E)&(Z)-4,8-Dimethyl-3,7-nonadien-2-one
Jiangyin Healthway
Chalcononaringenin
New functional food ingredients
Parchem
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
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
Recommendation for (E+Z)-4,8-dimethyl-3,7-nonadien-2-one usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 6.60 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 19 (μg/person/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: 20
 average usual ppmaverage maximum ppm
baked goods: 50.00000300.00000
beverages(nonalcoholic): 1.0000010.00000
beverages(alcoholic): 5.0000040.00000
breakfast cereal: 1.0000010.00000
cheese: --
chewing gum: 50.00000250.00000
condiments / relishes: --
confectionery froastings: 5.0000040.00000
egg products: 5.0000040.00000
fats / oils: 3.00000150.00000
fish products: 5.0000040.00000
frozen dairy: 10.0000060.00000
fruit ices: 10.0000060.00000
gelatins / puddings: 10.0000060.00000
granulated sugar: --
gravies: 5.0000030.00000
hard candy: 30.00000150.00000
imitation dairy: --
instant coffee / tea: 2.0000010.00000
jams / jellies: 20.0000080.00000
meat products: --
milk products: 5.0000050.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 5.0000030.00000
snack foods: 5.0000030.00000
soft candy: 30.00000150.00000
soups: 1.0000010.00000
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):

Scientific Opinion on Flavouring Group Evaluation 206 (FGE.206): Consideration of genotoxicity data on representatives for 12 alpha,beta-unsaturated ketones and precursors from chemical subgroup 1.2.3 of FGE.19 by EFSA
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 (2012)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6536892
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4,8-dimethylnona-3,7-dien-2-one
Chemidplus:0000817889
 
References:
 4,8-dimethylnona-3,7-dien-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6536892
Pubchem (sid):135327414
 
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:FDB009324
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
citrus
2-
heptanol
FL/FR
fatty
butyl undecylenate
FL/FR
4-
ethyl octanoic acid
FL/FR
fermented
methyl decanoate
FL/FR
floral
acetal 318
FR
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
benzyl formate
FL/FR
citronellyl butyrate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
menthadienyl formate
FR
methoxymelonal
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
3-
nonanon-1-yl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
petitgrain lemon oil
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
iso
propyl benzoate
FL/FR
rose undecene
FR
star fruit oil cuba
FL/FR
terpinyl valerate
FL/FR
tetrahydroionyl acetate
FR
fruity
benzaldehyde / methyl anthranilate schiff's base
FR
berry hexanoate
FR
iso
butyl anthranilate
FL/FR
iso
butyl furyl propionate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
eriocephalus punctulatus flower oil
FR
ethyl levulinate
FL/FR
heptyl isobutyrate
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl isobutyrate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
rhubarb pyran
FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical ionone
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
herbal
chamomile isobutyrate
FR
chamomile propionate
FR
chamomile valerate
FR
clary propyl acetate
FR
methyl cyclogeranate (Firmenich)
FR
powdery
alpha-
methyl ionone
FL/FR
spicy
para-
anisyl formate
FL/FR
woody
2-
decalinyl acetate
FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
iso
amyl angelate
FL/FR
amyl angelate
FL
2-
butyl thiophene
FL
2,4-
difurfuryl furan
FL
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
iso
propyl benzoate
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
benzyl acetoacetate
FL/FR
iso
butyl furyl propionate
FL/FR
beta-
damascone
FL/FR
berry
berry
heptyl isobutyrate
FL/FR
burnt
ethyl 2-furoate
FL
citrus
petitgrain lemon oil
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
4-
ethyl octanoic acid
FL/FR
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
floral
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
tropical ionone
FL/FR
fruity
benzyl acetate
FL/FR
benzyl formate
FL/FR
iso
butyl anthranilate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
ethyl levulinate
FL/FR
2-
heptanol
FL/FR
2-
hexyl-4-acetoxytetrahydrofuran
FL
methoxymelonal
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl 4-phenyl butyrate
FL
alpha-
methyl ionone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
phenethyl isovalerate
FL/FR
2-
phenyl-4-pentenal
FL
star fruit oil cuba
FL/FR
terpinyl valerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
green
(E)-
citronellyl tiglate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
honey
phenethyl isobutyrate
FL/FR
spicy
para-
anisyl formate
FL/FR
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
3-
mercaptohexyl acetate
FL/FR
waxy
butyl undecylenate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
woody
methyl ionyl acetate
FL/FR
 
Potential Uses:
FRfloral
FRfruit
FLfruit tropical fruit
FLmango
FLpapaya
FRpassion fruit
 
Occurrence (nature, food, other):note
 tobacco
Search Trop Picture
 vassoura oil
Search Trop Picture
 
Synonyms:
 citrinone
(E+Z)-4,8-dimethyl nona-3,7-dien-2-one
(E) & (Z)-4,8-dimethyl-3,7-nonadien-2-one
(E) and (Z)-4,8-dimethyl-3,7-nonadien-2-one
4,8-dimethylnona-3,7-dien-2-one
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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