nonyl isovalerate

flavor and fragrance agents

2D:
3D:
CAS Number:	7786-47-2
ECHA EC Number:	232-098-8
FDA UNII:	SXP0UF66RQ
CoE Number:	447
Category:	flavor and fragrance agents
IUPAC Name:	nonyl isovalerate
InChI :	InChI=1/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3
Std.InChI:	InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3
InChIKey :	JHKZVDVMXZGMOX-UHFFFAOYAY
Std.InChIKey:	JHKZVDVMXZGMOX-UHFFFAOYSA-N
SMILES :	CCCCCCCCCOC(=O)CC(C)C
MDL:	MFCD00672796
Molar Refractivity :	68.64 ± 0.3 cm3 (est)
Parachor :	611.2 ± 4.0 cm3 (est)
Index of Refraction :	1.434 ± 0.02 (est)
Surface Tension :	28.9 ± 3.0 dyne/cm (est)
Density :	0.866 ± 0.06 g/cm3 (est)
Polarizability :	27.21 ± 0.5 10-24cm3 (est)

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
DG SANTE Food Flavourings:	09.452 nonyl isovalerate
FEMA Number:	2791 nonyl isovalerate
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	7786-47-2 ; 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 mmHg @ 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:

fruity apple hazelnut citrus

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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 ppm	average maximum ppm
baked goods:		-	1.40000
beverages(nonalcoholic):		0.50000	1.00000
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:		1.00000	2.00000
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

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

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 2011 (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):	HMDB38034
FooDB:	FDB017244
Export Tariff Code:	2915.60.0000
ChemSpider:	View

Potential Blenders and core components :

For Odor

No odor group found for these

(Z)-8-

tetradecenal
FL/FR

aldehydic

(Z)-4-

dodecenal
FL/FR

camphoreous

butyrophenone
FL/FR

chocolate

methoxy-3-methyl pyrazine
FL/FR

2,4,5-

trimethyl thiazole
FL/FR

citrus

dodecanone
FL/FR

cocoa

2-iso

butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR

fatty

decen-2-one
FL/FR

fermented

hexanal diethyl acetal
FL/FR

floral

apple blossom fragrance
FR

citronellyl acetate
FL/FR

gamma-

damascone
FR

alpha-

damascone
FL/FR

(Z)-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 cider fragrance
FR

green

baked

red

apple ketal
FL/FR

benzyl isovalerate
FL/FR

benzyl propionate
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

methyl butyl butyrate
FL/FR

methyl butyrate
FL/FR

methyl isovalerate
FL/FR

methyl valerate
FL/FR

propyl 2-methyl butyrate
FL/FR

propyl heptanoate
FL/FR

iso

propyl isobutyrate
FL/FR

iso

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

(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

(Z)-3-

hexenal diethyl acetal
FL/FR

(E)-2-

hexenal propylene glycol acetal
FL/FR

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

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

acetyl-3,5-dimethyl pyrazine
FL/FR

acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR

methyl-3-ethoxypyrazine
FL/FR

methyl-3-pentenoic acid
FL/FR

popcorn

acetyl pyrazine
FL/FR

acetyl thiazole
FL/FR

powdery

applelide (IFF)
FR

sulfurous

ethyl methyl mercaptopropionate
FL/FR

waxy

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

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

hexyl acetate
FL

methyl acetoacetate
FL/FR

methyl-3-ethoxypyrazine
FL/FR

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

allyl propionate
FL/FR

citrus

dehydronootkatone
FL

corn chip

acetyl thiazole
FL/FR

ethereal

ethyl isobutyrate
FL/FR

fatty

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

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

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

(E)-2-

hexen-1-yl butyrate
FL/FR

(Z)-3-

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

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

acetyl-3,5-dimethyl pyrazine
FL/FR

acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR

2,5-

diethyl-3-methyl pyrazine
FL

european

hazelnut oleoresin
FL

methoxy-3-methyl pyrazine
FL/FR

2,4,5-

trimethyl thiazole
FL/FR

roasted

acetyl pyrazine
FL/FR

sulfurous

ethyl methyl mercaptopropionate
FL/FR

waxy

ethyl decanoate
FL/FR

octyl formate
FL/FR

propyl heptanoate
FL/FR

(E)-2-

undecenal
FL/FR

woody

(1S,5R)-

myrtenyl acetate
FL/FR

Potential Uses:

FR	apple
FR	autumn
FR	fruit
FR	hazelnut
FL	tropical

Occurrence (nature, food, other):

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
iso	valeric acid nonyl ester
iso	valeric acid, nonyl ester

Articles:

None found yet. Try the PubMed Search.

CONTENTS

EU/US Properties Organoleptic EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles