benzyl nonanoate

flavor and fragrance agents

2D:
3D:
CAS Number:	6471-66-5
ECHA EC Number:	229-316-9
FDA UNII:	7MCG3KKQ5N
Category:	flavor and fragrance agents
IUPAC Name:	benzyl nonanoate
InChI :	InChI=1/C16H24O2/c1-2-3-4-5-6-10-13-16(17)18-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
Std.InChI:	InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-16(17)18-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
InChIKey :	KVIQEJMWUXBBQJ-UHFFFAOYAL
Std.InChIKey:	KVIQEJMWUXBBQJ-UHFFFAOYSA-N
SMILES :	CCCCCCCCC(=O)OCC1=CC=CC=C1
Molar Refractivity :	74.63 ± 0.3 cm3 (est)
Parachor :	626.8 ± 4.0 cm3 (est)
Index of Refraction :	1.490 ± 0.02 (est)
Surface Tension :	34.9 ± 3.0 dyne/cm (est)
Density :	0.963 ± 0.06 g/cm3 (est)
Polarizability :	29.58 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
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Google Scholar: with word "volatile"	Search
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Google Scholar: with word "odor"	Search
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Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	2066 benzyl nonanoate
FEMA Number:	4626 benzyl nonanoate
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	6471-66-5 ; BENZYL NONANOATE

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.95300 to 0.95900 @ 20.00 °C.
Pounds per Gallon - (est).:	7.939 to 7.989
Specific Gravity:	0.95300 to 0.95900 @ 20.00 °C.
Pounds per Gallon - est.:	7.939 to 7.989
Refractive Index:	1.48100 to 1.48700 @ 20.00 °C.
Boiling Point:	315.00 to 318.00 °C. @ 760.00 mm Hg
Boiling Point:	126.00 to 127.00 °C. @ 0.90 mm Hg
Vapor Pressure:	0.000180 mmHg @ 25.00 °C. (est)
Flash Point:	228.00 °F. TCC ( 108.89 °C. )
logP (o/w):	5.564 (est)
Soluble in:
	alcohol
	water, 0.4678 mg/L @ 25 °C (est)
Insoluble in:
	water
Similar Items:note
allyl nonanoate
amyl nonanoate
isoamyl nonanoate
butyl nonanoate
isobutyl nonanoate
ethyl nonanoate
geranyl nonanoate
heptyl nonanoate
hexyl nonanoate
methyl nonanoate
nonyl nonanoate
octyl nonanoate
phenethyl nonanoate
propyl nonanoate
isopropyl nonanoate

Organoleptic Properties:

sweet elemi winey

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

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

Structure Class:	I
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: 24
Click here to view publication 24
	average usual ppm	average maximum ppm
baked goods:	0.10000	5.00000
beverages(nonalcoholic):	0.10000	5.00000
beverages(alcoholic):	-	-
breakfast cereal:	-	-
cheese:	-	-
chewing gum:	-	-
condiments / relishes:	-	-
confectionery froastings:	-	-
egg products:	-	-
fats / oils:	-	-
fish products:	-	-
frozen dairy:	1.00000	5.00000
fruit ices:	-	-
gelatins / puddings:	0.50000	5.00000
granulated sugar:	-	-
gravies:	-	-
hard candy:	0.10000	5.00000
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:	0.10000	5.00000
soft candy:	1.00000	10.00000
soups:	-	-
sugar substitutes:	-	-
sweet sauces:	-	-

Safety References:

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 :80960

National Institute of Allergy and Infectious Diseases:Data

benzyl nonanoate

Chemidplus:0006471665

References:

	benzyl nonanoate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	6471-66-5
Pubchem (cid):	80960
Pubchem (sid):	135039272

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):	Search
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
FAO:	Benzyl nonanoate

Potential Blenders and core components :

For Odor

alcoholic

fusel oil
FL/FR

balsamic

cinnamyl butyrate
FL/FR

opoponax oil (balsamodendron kafal)
FL/FR

phenyl propyl alcohol
FL/FR

terpinyl cinnamate
FL/FR

caramellic

diethyl malate
FL/FR

citrus

bitter

orange peel oil brazil
FL/FR

coconut

propyl octanoate
FL/FR

earthy

amyl octanoate
FL/FR

ethereal

iso

amyl acetoacetate
FL/FR

iso

butyl alcohol
FL/FR

decyl propionate
FL/FR

ethyl formate
FL/FR

methyl acetate
FL/FR

methyl-1-butanol
FL/FR

fatty

butyl undecylenate
FL/FR

fermented

iso

amyl alcohol
FL/FR

iso

butyl decanoate
FL/FR

ethyl crotonate
FL/FR

hexanal diethyl acetal
FL/FR

methyl decanoate
FL/FR

methyl-1-pentanol
FL/FR

pentanol
FL/FR

valeraldehyde
FL/FR

floral

dimethyl anthranilate
FL/FR

geranyl acetate
FL/FR

geranyl heptanoate
FL/FR

methyl citronellate
FL/FR

nonyl octanoate
FL/FR

phenethyl butyrate
FL/FR

rose oil (rosa damascena) bulgaria
FL/FR

fruity

acetoin acetate
FL/FR

allyl heptanoate
FL/FR

allyl hexanoate
FL/FR

iso

amyl 2-methyl butyrate
FL/FR

iso

amyl octanoate
FL/FR

iso

butyl acetoacetate
FL/FR

butyl anthranilate
FL/FR

butyl hexanoate
FL/FR

butyl isobutyrate
FL/FR

iso

butyl isovalerate
FL/FR

diethyl laevo-tartrate
FL/FR

diethyl sebacate
FL/FR

ethyl 2-ethyl acetoacetate
FL/FR

ethyl butyrate
FL/FR

ethyl heptanoate
FL/FR

ethyl hexanoate
FL/FR

farnesyl acetone
FL/FR

geranyl acetoacetate
FL/FR

grape butyrate
FL/FR

heptanone
FL/FR

heptyl isobutyrate
FL/FR

methyl nonanoate
FL/FR

pentanone
FL/FR

propyl heptanoate
FL/FR

propyl hexanoate
FL/FR

sorbyl butyrate
FL/FR

green

iso

amyl formate
FL/FR

benzaldehyde dimethyl acetal
FL/FR

cognac heptanone
FL/FR

green

cognac oil
FL/FR

heptanal (aldehyde C-7)
FL/FR

(Z)-2-

hexen-1-ol
FL/FR

(Z)-3-

hexen-1-yl butyrate
FL/FR

(Z)-3-

hexen-1-yl hexanoate
FL/FR

(E)-2-

hexen-1-yl hexanoate
FL/FR

(Z)-3-

hexen-1-yl octanoate
FL/FR

(E)-2-

hexen-1-yl valerate
FL/FR

hexyl isobutyrate
FL/FR

hexyl phenyl acetate
FL/FR

phenethyl tiglate
FL/FR

herbal

acetyl tributyl citrate
FL/FR

iso

amyl tiglate
FL/FR

anthemis nobilis flower oil roman
FL/FR

clary sage concrete
FL/FR

white

cognac oil
FL/FR

phenethyl senecioate
FL/FR

honey

methyl hydrocinnamate
FL/FR

soapy

ethyl undecanoate
FL/FR

spicy

cinnamyl isovalerate
FL/FR

waxy

allyl nonanoate
FL/FR

iso

amyl decanoate
FL/FR

iso

amyl laurate
FL/FR

ethyl decanoate
FL/FR

ethyl nonanoate
FL/FR

ethyl octanoate
FL/FR

phenethyl octanoate
FL/FR

winey

butyl angelate
FL/FR

hexanol
FL/FR

For Flavor

No flavor group found for these

acetyl tributyl citrate
FL/FR

amyl octanoate
FL/FR

iso

amyl tiglate
FL/FR

amyl-5 or 6-keto-1,4-dioxane
FL

butyl angelate
FL/FR

iso

butyl decanoate
FL/FR

butyl furan
FL

decyl propionate
FL/FR

diethyl laevo-tartrate
FL/FR

diethyl malate
FL/FR

ethyl aconitate
FL

ethyl cyclohexyl carboxylate
FL

farnesyl acetone
FL/FR

fleabane oil (erigeron canadensis)
FL

geranyl acetoacetate
FL/FR

geranyl heptanoate
FL/FR

hexanal diethyl acetal
FL/FR

hexanol
FL/FR

methyl hydrocinnamate
FL/FR

nonyl octanoate
FL/FR

phenethyl senecioate
FL/FR

propyl octanoate
FL/FR

sorbyl propionate
FL

balsamic

opoponax oil (balsamodendron kafal)
FL/FR

berry

heptyl isobutyrate
FL/FR

citrus

cognac heptanone
FL/FR

ethereal

iso

butyl alcohol
FL/FR

ethyl formate
FL/FR

methyl acetate
FL/FR

methyl-1-butanol
FL/FR

fatty

iso

amyl laurate
FL/FR

methyl decanoate
FL/FR

floral

methyl citronellate
FL/FR

rose oil (rosa damascena) bulgaria
FL/FR

fruity

acetoin acetate
FL/FR

allyl heptanoate
FL/FR

allyl hexanoate
FL/FR

iso

amyl 2-methyl butyrate
FL/FR

iso

amyl acetoacetate
FL/FR

iso

amyl octanoate
FL/FR

iso

butyl acetoacetate
FL/FR

butyl anthranilate
FL/FR

butyl hexanoate
FL/FR

butyl isobutyrate
FL/FR

cinnamyl isovalerate
FL/FR

diethyl sebacate
FL/FR

dimethyl anthranilate
FL/FR

ethyl 2-ethyl acetoacetate
FL/FR

ethyl butyrate
FL/FR

ethyl heptanoate
FL/FR

ethyl hexanoate
FL/FR

fusel oil
FL/FR

heptanone
FL/FR

hexyl phenyl acetate
FL/FR

bitter

orange peel oil brazil
FL/FR

pentanone
FL/FR

phenethyl butyrate
FL/FR

phenethyl octanoate
FL/FR

propyl hexanoate
FL/FR

sorbyl butyrate
FL/FR

terpinyl cinnamate
FL/FR

fusel

iso

amyl alcohol
FL/FR

white

cognac oil
FL/FR

green

cognac oil
FL/FR

green

iso

amyl formate
FL/FR

benzaldehyde dimethyl acetal
FL/FR

iso

butyl isovalerate
FL/FR

geranyl acetate
FL/FR

grape butyrate
FL/FR

heptanal (aldehyde C-7)
FL/FR

(Z)-2-

hexen-1-ol
FL/FR

(Z)-3-

hexen-1-yl butyrate
FL/FR

(E)-2-

hexen-1-yl hexanoate
FL/FR

(Z)-3-

hexen-1-yl hexanoate
FL/FR

(Z)-3-

hexen-1-yl octanoate
FL/FR

(E)-2-

hexen-1-yl valerate
FL/FR

hexyl isobutyrate
FL/FR

methyl-2-pentenal
FL

phenethyl tiglate
FL/FR

herbal

anthemis nobilis flower oil roman
FL/FR

clary sage concrete
FL/FR

musty

pentanol
FL/FR

propionaldehyde
FL

rummy

ethyl crotonate
FL/FR

spicy

phenyl propyl alcohol
FL/FR

waxy

allyl nonanoate
FL/FR

iso

amyl decanoate
FL/FR

butyl undecylenate
FL/FR

ethyl decanoate
FL/FR

ethyl nonanoate
FL/FR

ethyl octanoate
FL/FR

ethyl undecanoate
FL/FR

propyl heptanoate
FL/FR

whiskey

methyl-1-pentanol
FL/FR

winey

(Z)-

aconitic acid
FL

cinnamyl butyrate
FL/FR

methyl nonanoate
FL/FR

valeraldehyde
FL/FR

Potential Uses:

FR	cognac
FR	wine

Occurrence (nature, food, other):

	allspice japanese allspice Search Trop Picture
	rosa davurica pall. Search Trop Picture

Synonyms:

	benzyl nonan-1-oate
	nonanoic acid benzyl ester
	nonanoic acid phenyl methyl ester
	nonanoic acid phenylmethyl ester
	nonanoic acid, phenylmethyl ester
	nonanoic acid,phenylmethyl ester
	phenylmethyl nonanoate

Articles:

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CONTENTS

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