(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetate
(+/-)-trans- and cis-4,8-dimethyl-3,7-nonadien-2-yl acetate
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 91418-25-6Picture of molecule3D/inchi
FDA UNII: 7W4J428G2M
Nikkaji Web: J3.153.022I
XlogP3-AA: 3.90 (est)
Molecular Weight: 210.31674000
Formula: C13 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Racemate. Mixture of E/Z stereoisomers: 50-80 % (E) (EFFA, 2012c).
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 1847  (+/-)-cis and trans-4,8-dimethyl-3,7-nonadien-2-yl acetate
FLAVIS Number: 09.936 (Old)
DG SANTE Food Flavourings: 09.936  (+/-)-trans- and cis-4,8-dimethyl-3,7-nonadien-2-yl acetate
FEMA Number: 4103  (+/-)-trans- and cis-4,8-dimethyl-3,7-nonadien-2-yl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: (+/-)-TRANS- AND CIS-4,8-DIMETHYL-3,7-NONADIEN-2-YL ACETATE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.89000 to 0.90000 @  25.00 °C.
Pounds per Gallon - (est).: 7.406 to  7.489
Refractive Index: 1.45100 to 1.45900 @  20.00 °C.
Boiling Point: 276.00 to  277.00 °C. @ 760.00 mm Hg
Boiling Point: 75.00 to  83.00 °C. @ 2.00 mm Hg
Vapor Pressure: 0.005000 mm/Hg @ 25.00 °C. (est)
Flash Point: 201.00 °F. TCC ( 93.89 °C. )
logP (o/w): 4.452 (est)
Soluble in:
 alcohol
 water, 2.565 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: citrus
 
Odor Strength: medium
 
 lemon peel  citrus  earthy  woody  
Odor Description:
at 100.00 %. 
lemon rind citrus earthy woody
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetate
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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: flavor and fragrance agents
Recommendation for (E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetate usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (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: 22
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 2.0000010.00000
beverages(alcoholic): 5.0000050.00000
breakfast cereal: 5.0000025.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: 5.0000020.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 2.0000010.00000
gelatins / puddings: 5.0000020.00000
granulated sugar: --
gravies: --
hard candy: 5.0000025.00000
imitation dairy: --
instant coffee / tea: 2.0000020.00000
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 5.0000025.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.000500.02500
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.000500.02500
Edible ices, including sherbet and sorbet (03.0): 0.005000.25000
Processed fruit (04.1): 0.000500.02500
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.000500.02500
Confectionery (05.0): 0.050002.50000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 0.005000.25000
Meat and meat products, including poultry and game (08.0): 0.000500.02500
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.000500.02500
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.000500.02500
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.050002.50000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.050002.50000
Ready-to-eat savouries (15.0): 0.000500.02500
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.000500.02500
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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
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5365819
National Institute of Allergy and Infectious Diseases: Data
 [(3E)-4,8-dimethylnona-3,7-dien-2-yl] acetate
Chemidplus: 0091418256
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References:
 [(3E)-4,8-dimethylnona-3,7-dien-2-yl] acetate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5365819
Pubchem (sid): 135272335
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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 Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): Search
FooDB: FDB009325
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 cymbopogon citratus dc. stapf. oil cubaFR
balsamic
isobornyl formateFL/FR
isobornyl isobutyrateFL/FR
dextro-fenchoneFL/FR
 fir needle oil siberiaFL/FR
camphoreous
 fencholFL/FR
laevo-fenchoneFL/FR
citrus
 acetaldehyde citronellyl methyl acetalFR
 agathis australis oil 
 aldehydic nitrileFR
 bergamot oilFL/FR
beta-bisabololFL/FR
 cedrat peel oilFL/FR
 citralFL/FR
 citral / methyl anthranilate schiff's baseFR
 citral diethyl acetalFL/FR
 citral propylene glycol acetalFL/FR
 citronella oil ceylonFL/FR
 citronellyl nitrileFR
homogeranyl nitrileFR
 geranyl nitrileCS
2-heptanolFL/FR
 heptyl phenyl acetate 
 kauri-copal leaf oil 
 lemon hexadieneFL/FR
 lemon oil c.p. californiaFL/FR
 lemon oil c.p. furocoumarin reducedFL/FR
 lemon oil italyFL/FR
 lemon oil terpenelessFL/FR
 lemongrass oilFL/FR
 lemongrass oil guatemalaFL/FR
 lemongrass oil moroccoFL/FR
 litsea cubeba fruit oilFL/FR
 litsea cubeba oil terpenelessFL/FR
 mandarin lemon fagranceFR
 marine nitrileFR
 neroli ketoneFR
 ocimenolFL/FR
 tetrahydrocitralFL/FR
 trimethyl cyclohexeneFR
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
earthy
(-)-alpha-fencholFL/FR
3-octanolFL/FR
 pogostemon cablin leaf extractFR
fatty
 methyl 10-undecenoateFL/FR
floral
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
 bois de rose oil terpenelessFL/FR
 citronellyl acetateFL/FR
 dihydro-alpha-iononeFL/FR
 gardenia amideFR
 lemon oil distilledFL/FR
 linalool oxideFL/FR
 nerolidolFL/FR
 petitgrain lemon oilFL/FR
green
isocyclocitral (IFF)FL/FR
isodecanalFL/FR
 fern absolute 
 galbanum absoluteFL/FR
 galbanum oilFL/FR
 lawsonia inermis leaf oil CO2 extractFR
 oakmoss oilFR
 rose furan epoxideFL/FR
 terpinyl propionateFL/FR
herbal
 arnica flower absoluteFR
 canarium luzonicum oilFL/FR
 dihydroterpinyl acetateFL/FR
 guava leaf oil cubaFR
cis-herbal cyclohexaneFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
alpha-pineneFL/FR
mossy
 oakmoss absoluteFL/FR
spicy
4-carvomenthenolFL/FR
 ginger oleoresin africaFL/FR
 ginger root oil chinaFL/FR
terpenic
 cypress leaf oilFR
gamma-terpineneFL/FR
tropical
 patchwoodFR
woody
 cyperus root oil (cyperus scariosus)FR
 cypriol oil (cyperus scariosus)FR
 dihydro-beta-iononeFL/FR
 dihydro-gamma-iononeFL/FR
3(or 2),4-dimethyl-5-vinyl octahydro-4,7-methanoinden-5-ol 
 dryopteris filix-mas oleoresinFR
(E)-beta-farneseneFL/FR
 germacrene B 
 herbal norbornaneFR
5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole 
isolongifolene epoxideFR
 octahydro-3(or 2),4-dimethyl-4,7-methanoinden-5-one 
 orris hexanoneFR
terpeneless patchouli oilFL/FR
 patchouli oil chinaFL/FR
 pelargonium radula oilFR
 pinacolFR
 pogostemon cablin leaf oilFR
alpha-terpineneFL/FR
beta-terpineolFL/FR
3(or 2),4,5-trimethyl octahydro-4,7-methanoinden-5-olFR
3(or 2),4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-5-ol 
1,3,5,7-undecatetraeneFL/FR
 vetiver oil CO2 extractFL/FR
 vetiver oil fractionsFR
 vetiver oil haitiFL/FR
 vetiveria zizanioides root oilFL/FR
 
For Flavor
 
No flavor group found for these
 agathis australis oil 
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
 cedrat peel oilFL/FR
 citral propylene glycol acetalFL/FR
isodecanalFL/FR
 dihydro-gamma-iononeFL/FR
 dihydroterpinyl acetateFL/FR
3(or 2),4-dimethyl-5-vinyl octahydro-4,7-methanoinden-5-ol 
(E)-beta-farneseneFL/FR
 fern absolute 
 germacrene B 
 heptyl phenyl acetate 
5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole 
 kauri-copal leaf oil 
 melissa oilFL
 ocimenolFL/FR
 octahydro-3(or 2),4-dimethyl-4,7-methanoinden-5-one 
3-propyl pyridineFL
 rose furan epoxideFL/FR
beta-terpineolFL/FR
 tetrahydrocitralFL/FR
3(or 2),4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-5-ol 
1,3,5,7-undecatetraeneFL/FR
 vitispiraneFL
balsamic
isobornyl isobutyrateFL/FR
 fir needle oil siberiaFL/FR
berry
 dihydro-alpha-iononeFL/FR
camphoreous
(-)-alpha-fencholFL/FR
 fencholFL/FR
laevo-fenchoneFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
citrus
 bergamot oilFL/FR
beta-bisabololFL/FR
 citralFL/FR
 citral diethyl acetalFL/FR
 citronella oil ceylonFL/FR
 lemon carbonylsFL
 lemon hexadieneFL/FR
 lemon oil c.p. californiaFL/FR
 lemon oil c.p. furocoumarin reducedFL/FR
 lemon oil distilledFL/FR
 lemon oil italyFL/FR
 lemon oil terpenelessFL/FR
 lemongrass oilFL/FR
 lemongrass oil guatemalaFL/FR
 lemongrass oil moroccoFL/FR
 litsea cubeba fruit oilFL/FR
 petitgrain lemon oilFL/FR
 verbena oil franceFL
 verbena oil moroccoFL
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
cooling
4-carvomenthenolFL/FR
dextro-fenchoneFL/FR
floral
 bois de rose oil terpenelessFL/FR
 citronellyl acetateFL/FR
fruity
2-heptanolFL/FR
green
 canarium luzonicum oilFL/FR
isocyclocitral (IFF)FL/FR
 galbanum absoluteFL/FR
 galbanum oilFL/FR
 linalool oxideFL/FR
 nerolidolFL/FR
 oakmoss absoluteFL/FR
 terpinyl propionateFL/FR
lemon
 litsea cubeba oil terpenelessFL/FR
musty
3-octanolFL/FR
spicy
 ginger oleoresin africaFL/FR
 ginger root oil chinaFL/FR
 turmeric oleoresinFL
terpenic
gamma-terpineneFL/FR
alpha-terpineneFL/FR
waxy
 methyl 10-undecenoateFL/FR
woody
isobornyl formateFL/FR
 dihydro-beta-iononeFL/FR
terpeneless patchouli oilFL/FR
 patchouli oil chinaFL/FR
alpha-pineneFL/FR
 vetiver oil CO2 extractFL/FR
 vetiver oil haitiFL/FR
 vetiveria zizanioides root oilFL/FR
 
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Potential Uses:
 citrusFL
 grapefruitFL
 lemonFL
 orangeFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 acetate, (1,3,7-trimethyl-2,6-octadienyl) ester
 acetic acid, 1,3,7-trimethylocta-2,6-dienyl ester
(E+Z)-4,8-dimethyl-3,7-nonadien-2-ol acetate
(+/-)-cis and trans-4,8-dimethyl-3,7-nonadien-2-yl acetate
(+/-)-trans- and cis-4,8-dimethyl-3,7-nonadien-2-yl acetate
[(3E)-4,8-dimethylnona-3,7-dien-2-yl] acetate
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