nonyl octanoate
nonyl caprylate
 
Notes:
Used in food flavouring
  • BOC Sciences
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      Product(s):
      7786-48-3 Nonyl Octanoate 95%
       
  • CSA
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CAS Number: 7786-48-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 232-099-3
FDA UNII: X6F9O759XX
Nikkaji Web: J115.089H
CoE Number: 396
XlogP3-AA: 7.10 (est)
Molecular Weight: 270.45638000
Formula: C17 H34 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
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NCBI: Search
JECFA Food Flavoring: 178  nonyl octanoate
DG SANTE Food Flavourings: 09.115  nonyl octanoate
FEMA Number: 2790 nonyl octanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):7786-48-3 ; NONYL OCTANOATE
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 oily liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.86000 @  25.00 °C.
Refractive Index: 1.43100 to 1.43500 @  20.00 °C.
Boiling Point: 315.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000321 mmHg @ 25.00 °C. (est)
Flash Point: 300.00 °F. TCC ( 148.89 °C. )
logP (o/w): 0.850 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, 0.01172 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl octanoate
amyl octanoate
isoamyl octanoate
benzyl octanoate
butyl octanoate
isobutyl octanoate
citronellyl octanoate
ortho-cresyl octanoate
para-cresyl octanoate
decyl octanoate
ethyl 4-methyl octanoate
ethyl octanoate
furfuryl octanoate
geranyl octanoate
heptyl octanoate
(E)-2-hexen-1-yl octanoate
(Z)-3-hexen-1-yl octanoate
hexyl octanoate
linalyl octanoate
2-methyl butyl octanoate
methyl octanoate
octyl octanoate
phenethyl octanoate
propyl octanoate
isopropyl octanoate
sulfuryl octanoate
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
 sweet  rose  mushroom  floral  cognac  
Odor Description:
at 100.00 %. 
sweet rose mushroom floral cognac
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Nonyl Octanoate 95%
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for nonyl octanoate usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.14 (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: -0.06000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
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 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
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 : 589365
National Institute of Allergy and Infectious Diseases: Data
 nonyl octanoate
Chemidplus: 0007786483
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References:
 nonyl octanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7786-48-3
Pubchem (cid): 589365
Pubchem (sid): 135263083
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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): HMDB34131
FooDB: FDB012405
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
aldehydic
 nonanal diethyl acetalFL/FR
balsamic
(E)-benzyl tiglateFL/FR
citrus
bitter orange peel oil brazilFL/FR
creamy
 butyl lactateFL/FR
earthy
 dibenzyl etherFL/FR
1-nonen-3-olFL/FR
3-octanolFL/FR
1-octen-3-oneFL/FR
ethereal
 decyl propionateFL/FR
 ethyl formateFL/FR
fatty
(E)-2-decenalFL/FR
 methyl 10-undecenoateFL/FR
fermented
isobutyl decanoateFL/FR
 butyl laevo-lactateFL/FR
 hexanal diethyl acetalFL/FR
3-methyl-1-pentanolFL/FR
floral
 amyl nonanoateFL/FR
isoamyl undecylenateFL/FR
 benzyl alcoholFL/FR
 butyl benzyl etherFL/FR
 citronellalFL/FR
 citronellyl propionateFL/FR
(Z)-alpha-damasconeFL/FR
gamma-damasconeFR
(Z)-4-decen-1-yl acetateFL/FR
 dihydrocarvyl acetateFL/FR
6,8-dimethyl-2-nonanolFR
 farnesyl acetateFL/FR
 floral pyranFR
 geranium rose-scented oil cubaFR
 geranyl acetateFL/FR
 geranyl heptanoateFL/FR
(E)-geranyl linaloolFL/FR
 globulol 
 hawthorn ethanolFR
 herbal pyranFR
2-methyl octanalFL/FR
 musk acetateFR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 nonanolFL/FR
 octyl acetateFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl butyl etherFR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde digeranyl acetalFR
2-phenyl propionaldehyde dimethyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
 rose acetateFR
laevo-rose oxideFL/FR
 styralyl propionateFL/FR
2-undecen-1-olFL/FR
(E)-2-undecen-1-olFL/FR
fruity
(E)-alpha-damasconeFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
(E)-ethyl tiglateFL/FR
4-heptanoneFL/FR
 octyl propionateFL/FR
 strawberry glycidate 2FL/FR
fungal
1-decen-3-olFL/FR
 methyl 2-furoateFL/FR
green
isodecanalFL/FR
2-heptyl tetrahydrofuranFR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-leaf acetalFL/FR
 melon acetalFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
herbal
 anthemis nobilis flower oil romanFL/FR
3-octanoneFL/FR
honey
 phenethyl furoateFL/FR
 phenyl acetic acidFL/FR
3-octen-2-olFL/FR
(R)-1-octen-3-olFL/FR
1-octen-3-yl butyrateFL/FR
powdery
para-anisyl alcoholFL/FR
soapy
 ethyl undecanoateFL/FR
waxy
 methyl laurateFL/FR
(Z)-3-nonen-1-olFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
 amyl nonanoateFL/FR
isoamyl undecylenateFL/FR
 butyl benzyl etherFL/FR
isobutyl decanoateFL/FR
(Z)-alpha-damasconeFL/FR
isodecanalFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 decyl propionateFL/FR
 geranyl heptanoateFL/FR
(E)-geranyl linaloolFL/FR
 globulol 
 hexanal diethyl acetalFL/FR
2-methyl octanalFL/FR
tris(methyl thio) methaneFL
 nonanal diethyl acetalFL/FR
(E)-2-penten-1-olFL
2-pentyl-1-buten-3-oneFL
 phenethyl furoateFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
balsamic
(E)-benzyl tiglateFL/FR
buttery
 butyl laevo-lactateFL/FR
caramellic
 methyl 2-furoateFL/FR
citrus
 styralyl propionateFL/FR
dairy
 butyl lactateFL/FR
earthy
1-decen-3-olFL/FR
1-nonen-3-olFL/FR
1,8-octane dithiolFL
1-octen-3-oneFL/FR
estery
 octyl propionateFL/FR
ethereal
 ethyl formateFL/FR
fatty
 dimethyl sulfoxideFL
fermented
 methyl thio isovalerateFL
floral
 citronellalFL/FR
 citronellyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
 farnesyl acetateFL/FR
 neryl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenyl acetic acidFL/FR
laevo-rose oxideFL/FR
fruity
para-anisyl alcoholFL/FR
 benzyl alcoholFL/FR
(E)-alpha-damasconeFL/FR
 dibenzyl etherFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
(E)-ethyl tiglateFL/FR
4-heptanoneFL/FR
 neryl isovalerateFL/FR
bitter orange peel oil brazilFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
 strawberry glycidate 2FL/FR
green
 geranyl acetateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-leaf acetalFL/FR
 melon acetalFL/FR
4-methyl-2-pentenalFL
 phenyl acetaldehyde dimethyl acetalFL/FR
herbal
 anthemis nobilis flower oil romanFL/FR
honey
 phenethyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
medicinal,
 phenethyl salicylateFL/FR
mushroom
3-octanoneFL/FR
3-octen-2-olFL/FR
(R)-1-octen-3-olFL/FR
1-octen-3-yl butyrateFL/FR
musty
3-octanolFL/FR
sulfurous
1-(methyl thio)-2-butanoneFL
2-naphthyl mercaptanFL
vegetable
2-octen-4-oneFL/FR
waxy
(E)-2-decenalFL/FR
 ethyl undecanoateFL/FR
 methyl 10-undecenoateFL/FR
 methyl laurateFL/FR
 nonanolFL/FR
(Z)-3-nonen-1-olFL/FR
 octyl 2-furoateFL
 octyl acetateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
 
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Potential Uses:
 floralFR
 fungusFR
 orange bitter orange peelFL/FR
 orchidFR
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Occurrence (nature, food, other): note
 orange bitter orange
Search Trop  Picture
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Synonyms:
 nonyl caprylate
 nonyl octylate
 octanoic acid nonyl ester
 octanoic acid, nonyl ester
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