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BT
 

nonyl isovalerate
isovaleric acid, nonyl ester

Sponsors

Name:nonyl 3-methylbutanoate
CAS Number: 7786-47-2Picture of molecule3D/inchi
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
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.
 
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
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fruity apple hazelnut citrus
Odor Description:at 100.00 %. fruity apple hazelnut citrus
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Nonyl Isovalerate
Synerzine
Nonyl Isovalerate
 
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 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
 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: --
 
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
 
References:
 nonyl 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7786-47-2
Pubchem (cid):5463914
Pubchem (sid):135263082
 
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
 
Potential Blenders and core components note
For Odor
No odor group found for these
propyl 2-methyl butyrate
FL/FR
(Z)-8-
tetradecenal
FL/FR
aldehydic
aldehydic
(Z)-4-
dodecenal
FL/FR
camphoreous
butyrophenone
FL/FR
chocolate
2-
methoxy-3-methyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
citrus
2-
dodecanone
FL/FR
cocoa
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
fatty
3-
decen-2-one
FL/FR
fermented
hexanal diethyl acetal
FL/FR
floral
citronellyl acetate
FL/FR
gamma-
damascone
FR
(Z)-alpha-
damascone
FL/FR
alpha-
damascone
FL/FR
methyl citronellate
FL/FR
neryl isovalerate
FL/FR
terpinyl formate
FL/FR
(E)-2,5,9-
trimethyl-4,9-decadien-1-al
FR
fruity
acetaldehyde hexyl isoamyl acetal
FL/FR
allyl heptanoate
FL/FR
allyl propionate
FL/FR
amyl 2-methyl butyrate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
butyl isovalerate
FL/FR
iso
butyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl isovalerate
FL/FR
(E)-alpha-
damascone
FL/FR
eriocephalus punctulatus flower oil
FR
ethyl 2-methyl butyrate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl isobutyrate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl isovalerate
FL/FR
heptanal cyclic ethylene acetal
FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl formate
FL/FR
hexyl isovalerate
FL/FR
methyl acetoacetate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
propyl heptanoate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
(E,E)-5,6,7,7-
tetramethyl-2,5-octadien-4-one
FR
(E)-2-
undecenal
FL/FR
green
butyl heptanoate
FL/FR
citrus carbaldehyde / methyl anthranilate schiff's base
FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
galbascone (IFF)
FR
green carboxylate
FR
green note propionate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal
FL/FR
(Z)-3-
hexenal diethyl acetal
FL/FR
(E)-2-
hexenal propylene glycol acetal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
methyl (E)-3-hexenoate
FL/FR
3-
octyl formate
FL/FR
(E)-2-
pentenal
FL/FR
pineapple heptadienone 10%
FR
propyl tiglate
FL/FR
herbal
(1S,5R)-
myrtenyl acetate
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
2-
methyl-3-pentenoic acid
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
2-
acetyl thiazole
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
waxy
3-
decanone
FL/FR
ethyl decanoate
FL/FR
woody
marine formate
FR
lariciu
pine needle oil
FR
For Flavor
No flavor group found for these
acetaldehyde hexyl isoamyl acetal
FL/FR
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
butyrophenone
FL/FR
beta-
cubebene
FL
cyclohexyl butyrate
FL/FR
(Z)-alpha-
damascone
FL/FR
3-
decanone
FL/FR
dihydronootkatone
FL
4,5-
dimethyl-2-ethyl thiazole
FL
(Z)-4-
dodecenal
FL/FR
ethyl 3-methyl valerate
FL/FR
geranyl 2-methyl butyrate
FL/FR
heptyl 2-methyl butyrate
FL
hexanal diethyl acetal
FL/FR
(E)-3-
hexenal
FL
(Z)-3-
hexenal diethyl acetal
FL/FR
(E)-2-
hexenal dimethyl acetal
FL
(E)-2-
hexenal propylene glycol acetal
FL/FR
2-
hexyl acetate
FL
methyl acetoacetate
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
2-
methyl-3-pentenoic acid
FL/FR
propyl 2-methyl butyrate
FL/FR
iso
propyl isobutyrate
FL/FR
propyl isovalerate
FL/FR
iso
propyl isovalerate
FL/FR
propyl tiglate
FL/FR
(Z)-8-
tetradecenal
FL/FR
alliaceous
alliaceous
allyl propionate
FL/FR
citrus
dehydronootkatone
FL
corn chip
2-
acetyl thiazole
FL/FR
ethereal
ethyl isobutyrate
FL/FR
fatty
2-
dodecanone
FL/FR
floral
citronellyl acetate
FL/FR
methyl citronellate
FL/FR
fruity
allyl heptanoate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
butyl heptanoate
FL/FR
butyl isovalerate
FL/FR
cyclohexyl isovalerate
FL/FR
(E)-alpha-
damascone
FL/FR
alpha-
damascone
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
neryl isovalerate
FL/FR
terpinyl formate
FL/FR
fusel
methyl butyrate
FL/FR
green
iso
butyl isovalerate
FL/FR
3-
decen-2-one
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
geranyl isovalerate
FL/FR
green note propionate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl formate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
methyl (E)-3-hexenoate
FL/FR
(E)-2-
pentenal
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2,5-
diethyl-3-methyl pyrazine
FL
european
hazelnut oleoresin
FL
2-
methoxy-3-methyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
roasted
2-
acetyl pyrazine
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
waxy
ethyl decanoate
FL/FR
3-
octyl formate
FL/FR
propyl heptanoate
FL/FR
(E)-2-
undecenal
FL/FR
woody
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
 appleFR
 fruitFR
 autumnFR
 nut hazelnutFR
 tropicalFL
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 
 
Notes:
Flavouring ingredient
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