nonyl isovalerate
isovaleric acid, nonyl ester
 
Notes:
Flavouring ingredient
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nonyl 3-methylbutanoate (Click)
CAS Number: 7786-47-2Picture of molecule
ECHA EINECS - REACH Pre-Reg: 232-098-8
FDA UNII: SXP0UF66RQ
Nikkaji Web: J183.051A
MDL: MFCD00672796
CoE Number: 447
XlogP3: 5.20 (est)
Molecular Weight: 228.37556000
Formula: C14 H28 O2
NMR Predictor: Predict (works with chrome or firefox)
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
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 201  nonyl isovalerate
Flavis Number: 09.452 (Old)
DG SANTE Food Flavourings: 09.452  nonyl isovalerate
FEMA Number: 2791  nonyl isovalerate
FDA Mainterm: NONYL ISOVALERATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 264.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.009000 mm/Hg @ 25.00 °C. (est)
Flash Point: 239.00 °F. TCC ( 115.00 °C. )
logP (o/w): 5.724 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, 0.4196 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
citronellyl isovalerate
para-cresyl valerate
para-cresyl isovalerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
menthyl isovalerate
methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
myrtenyl isovalerate
neryl isovalerate
nonyl valerate
octyl valerate
octyl isovalerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
propyl valerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium
 fruity  apple  hazelnut  citrus  
Odor Description:
at 100.00 %. 
fruity apple hazelnut citrus
  
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Nonyl Isovalerate
CTC Organics
nonyl isovalerate
Synonyms   Articles   Notes   Search   Top
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 nonyl isovalerate usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
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: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -1.40000
beverages(nonalcoholic): 0.500001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.50000
fruit ices: -0.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 1.000002.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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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):
Flavouring Group Evaluation 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf
Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5463914
National Institute of Allergy and Infectious Diseases: Data
 nonyl 3-methylbutanoate
Chemidplus: 0007786472
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References:
 nonyl 3-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7786-47-2
Pubchem (cid): 5463914
Pubchem (sid): 135263082
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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): HMDB38034
FooDB: FDB017244
Export Tariff Code: 2915.60.0000
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(Z)-8-tetradecenalFL/FR
 zinc chelate of L-lysinate HCl 
aldehydic
(Z)-4-dodecenalFL/FR
camphoreous
 butyrophenoneFL/FR
chocolate
2-methoxy-3-methyl pyrazineFL/FR
2,4,5-trimethyl thiazoleFL/FR
2-dodecanoneFL/FR
cocoa
2-isobutyl-3,5-(and 3,6)-dimethyl pyrazineFL/FR
fatty
3-decen-2-oneFL/FR
fermented
 hexanal diethyl acetalFL/FR
floral
 citronellyl acetateFL/FR
gamma-damasconeFR
alpha-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
 methyl citronellateFL/FR
 neryl isovalerateFL/FR
 terpinyl formateFL/FR
(E)-2,5,9-trimethyl-4,9-decadien-1-alFR
fruity
 allyl heptanoateFL/FR
 allyl propionateFL/FR
isoamyl 2-methyl butyrateFL/FR
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
(E)-alpha-damasconeFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl isobutyrateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl isovalerateFL/FR
 heptanal cyclic ethylene acetalFR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexenal dimethyl acetal 
 hexyl formateFL/FR
 methyl acetoacetateFL/FR
 methyl butyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 nonyl isovalerateFL/FR
 propyl heptanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
(E)-2-undecenalFL/FR
green
 butyl heptanoateFL/FR
 citrus carbaldehyde / methyl anthranilate schiff's baseFR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 galbascone (IFF)FR
 green carboxylateFR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexenal diethyl acetalFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
(E)-2-pentenalFL/FR
 pineapple heptadienone 10%FR
 propyl tiglateFL/FR
herbal
(1S,5R)-myrtenyl acetateFL/FR
musty
 hazelnut pyrazineFL/FR
nutty
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
2-methyl-3-pentenoic acidFL/FR
popcorn
2-acetyl pyrazineFL/FR
2-acetyl thiazoleFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
waxy
3-decanoneFL/FR
 ethyl decanoateFL/FR
woody
 marine formateFR
 
For Flavor
 
No flavor group found for these
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 apple ketalFL/FR
isobutyl isovalerateFL/FR
2-isobutyl-3,5-(and 3,6)-dimethyl pyrazineFL/FR
 butyrophenoneFL/FR
beta-cubebeneFL
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
(Z)-alpha-damasconeFL/FR
3-decanoneFL/FR
 dihydronootkatoneFL
4,5-dimethyl-2-ethyl thiazoleFL
(Z)-4-dodecenalFL/FR
 ethyl 3-methyl valerateFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 heptyl 2-methyl butyrateFL
 hexanal diethyl acetalFL/FR
(Z)-3-hexenal diethyl acetalFL/FR
(E)-2-hexenal dimethyl acetalFL
(Z)-3-hexenal dimethyl acetal 
 hexyl formateFL/FR
 methyl acetoacetateFL/FR
2-methyl-3-ethoxypyrazineFL/FR
2-methyl-3-pentenoic acidFL/FR
 nonyl isovalerateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propyl tiglateFL/FR
(Z)-8-tetradecenalFL/FR
 zinc chelate of L-lysinate HCl 
alliaceous
 allyl propionateFL/FR
coconut
 butyl heptanoateFL/FR
corn chip
2-acetyl thiazoleFL/FR
ethereal
 ethyl isobutyrateFL/FR
fatty
3-decen-2-oneFL/FR
2-dodecanoneFL/FR
floral
 citronellyl acetateFL/FR
 methyl citronellateFL/FR
fruity
 allyl heptanoateFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl valerateFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 butyl isovalerateFL/FR
(E)-alpha-damasconeFL/FR
alpha-damasconeFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 neryl isovalerateFL/FR
 terpinyl formateFL/FR
fusel
 methyl butyrateFL/FR
grapefruit
 dehydronootkatoneFL
green
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
(E)-2-pentenalFL/FR
juicy
 ethyl (E,Z)-2,4-decadienoateFL/FR
musty
 hazelnut pyrazineFL/FR
nutty
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
2,5-diethyl-3-methyl pyrazineFL
european hazelnut oleoresinFL
2-methoxy-3-methyl pyrazineFL/FR
2,4,5-trimethyl thiazoleFL/FR
roasted
2-acetyl pyrazineFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
waxy
 ethyl decanoateFL/FR
 propyl heptanoateFL/FR
(E)-2-undecenalFL/FR
woody
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
 appleFR
 fruitFR
 autumnFR
 nut hazelnutFR
 tropicalFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 butanoic acid, 3-methyl-, nonyl ester
3-methyl butanoic acid nonyl ester
 nonyl 3-methyl butanoate
 nonyl 3-methylbutanoate
 nonyl isopentanoate
 nonyl isovalerianate
isovaleric acid nonyl ester
isovaleric acid, nonyl ester
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