nonan-3-yl acetate
3-hydroxynonyl acetate
 
Notes:
Used as a food additive [EAFUS] Flavouring ingredient
  • BOC Sciences
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      Product(s):
      60826-15-5 3-Hydroxynonyl acetate
       
  • CSA
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CAS Number: 60826-15-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 262-444-3
FDA UNII: 7J2FQY0W0R
Nikkaji Web: J184.544F
XlogP3-AA: 4.00 (est)
Molecular Weight: 186.29474000
Formula: C11 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Racemate (EFFA, 2010a).
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
JECFA Food Flavoring: 1145  (+/-)nonan-3-yl acetate
FLAVIS Number: 09.925 (Old)
DG SANTE Food Flavourings: 09.925  nonan-3-yl acetate
FEMA Number: 4007  (+/-)nonan-3-yl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):60826-15-5 ; 3-NONYL ACETATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.85400 to 0.86400 @  25.00 °C.
Pounds per Gallon - (est).: 7.106 to  7.189
Refractive Index: 1.41600 to 1.42300 @  20.00 °C.
Boiling Point: 225.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.158000 mmHg @ 25.00 °C. (est)
Flash Point: 181.00 °F. TCC ( 82.78 °C. )
logP (o/w): 4.196 (est)
Soluble in:
 alcohol
 water, 12.56 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
 herbal  fruity  ethereal  
Odor Description:
at 100.00 %. 
herbal fruity ethereal
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
3-Nonanol, 3-acetate
BOC Sciences
For experimental / research use only.
3-Hydroxynonyl acetate
Parchem
nonan-3-yl acetate
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
Recommendation for nonan-3-yl acetate usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
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: 20
Click here to view publication 20
 average usual ppmaverage maximum ppm
baked goods: 9.0000018.00000
beverages(nonalcoholic): 6.0000012.00000
beverages(alcoholic): 6.0000012.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 7.0000014.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 8.0000016.00000
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: 7.0000014.00000
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):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 (2012)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 108518
National Institute of Allergy and Infectious Diseases: Data
 nonan-3-yl acetate
Chemidplus: 0060826155
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References:
 nonan-3-yl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 60826-15-5
Pubchem (cid): 108518
Pubchem (sid): 135066322
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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 Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32443
FooDB: FDB016746
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alcoholic
 fusel oilFL/FR
anisic
 amyl furoateFL/FR
caramellic
 diethyl malateFL/FR
chemical
isobutyl formateFL/FR
earthy
 spathulenol 
ethereal
 acetalFL/FR
 butyl acetateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl acetateFL/FR
 ethyl pyruvateFL/FR
isopropyl acetateFL/FR
 propyl valerateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
floral
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetoneFL/FR
 butyl tiglateFR
 cassis cyclohexeneFR
 dimethyl benzyl carbinyl butyrateFL/FR
 geranyl tiglateFL/FR
 jasmin absolute egypt (from concrete)FL/FR
 magnolia flower oil CO2 extractFL/FR
 menthadienyl formateFR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
3-nonanoneFL/FR
 rose undeceneFR
fruity
 acetaldehyde diisoamyl acetalFL/FR
 amyl acetateFL/FR
 amyl formateFL/FR
 amyl heptanoateFL/FR
para-anisyl propionateFL/FR
 balsam specialtyFR
 benzyl methyl etherFL/FR
isobutyl acetateFL/FR
isobutyl valerateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl propionateFL/FR
 geranyl ethyl etherFL/FR
alpha-ionyl ethyl ether 
para-menth-1-ene-9-olFL/FR
 methyl 2-methyl butyrateFL/FR
2-methyl butyl isovalerateFL/FR
 methyl butyrateFL/FR
 methyl hexanoateFL/FR
 methyl isobutyrateFL/FR
2-pentanoneFL/FR
sesquiphellandrene 
isopropyl propionateFL/FR
green
 butyl heptanoateFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
 cognac heptanoneFL/FR
 dicyclopentadiene propionateFR
 herbal cyclohexaneFR
 hexyl tiglateFL/FR
(Z)-2-penten-1-olFL/FR
herbal
isoamyl heptanoateFL/FR
 artemisia ludoviciana oilFR
 buchu mercaptan acetateFL/FR
 butyl levulinateFL/FR
 chamomile propionateFR
 chamomile valerateFR
 cuminyl acetateFL/FR
 dimethyl benzyl carbinyl crotonateFL/FR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
1-para-menthen-9-yl acetateFL/FR
 methyl hexyl etherFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 myrtle oilFL/FR
3-octanon-1-olFL/FR
beta-sesquiphellandrene 
 rue flower oil colombia 
 rue oilFL/FR
 rue oil cubaFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil egyptFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
 tricyclodecenyl isobutyrateFR
 tricyclodecenyl propionateFR
 viridiflorolFL/FR
orris
 orris capronateFL/FR
woody
2-decalinyl acetateFR
 patchouli absoluteFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde diisoamyl acetalFL/FR
isoamyl angelateFL/FR
 amyl furoateFL/FR
para-anisyl propionateFL/FR
 benzyl methyl tiglateFL
isobutyl heptanoateFL/FR
 butyl methyl ketoneFL
 cuminyl acetateFL/FR
 diethyl malateFL/FR
(±)-(cis+trans)-1,2-dihydroperillaldehydeFL
 dimethyl benzyl carbinyl crotonateFL/FR
 ethyl 2-methyl-2-(methyl thio) propionateFL
 ethyl 4-pentenoateFL/FR
 geranyl ethyl etherFL/FR
2-heptenoic acidFL
alpha-ionyl ethyl ether 
 linalyl formateFL/FR
 magnolia flower oil CO2 extractFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
2-methyl butyl isobutyrateFL
2-methyl butyl propionateFL
S-(methyl thio) hexanoateFL
3-octanon-1-olFL/FR
beta-sesquiphellandrene 
sesquiphellandrene 
 propyl valerateFL/FR
 rue flower oil colombia 
 spathulenol 
 viridiflorolFL/FR
 althaea officinalis root tinctureFL
acidic
(E)-2-hexenoic acidFL
citrus
 cognac heptanoneFL/FR
creamy
 althaea officinalis root extractFL
ethereal
 butyl acetateFL/FR
 ethyl acetateFL/FR
 methyl hexyl etherFL/FR
 methyl isobutyrateFL/FR
isopropyl acetateFL/FR
floral
 dimethyl benzyl carbinyl butyrateFL/FR
 geranyl tiglateFL/FR
 jasmin absolute egypt (from concrete)FL/FR
fruity
 amyl acetateFL/FR
 amyl formateFL/FR
 amyl heptanoateFL/FR
 benzyl acetoneFL/FR
 benzyl methyl etherFL/FR
 buchu mercaptan acetateFL/FR
isobutyl acetateFL/FR
 butyl heptanoateFL/FR
isobutyl valerateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl propionateFL/FR
 fusel oilFL/FR
 linalyl octanoateFL/FR
1-para-menthen-9-yl acetateFL/FR
 methyl 2-methyl butyrateFL/FR
2-methyl allyl butyrateFL
2-methyl butyl isovalerateFL/FR
 methyl hexanoateFL/FR
2-pentanoneFL/FR
isopropyl propionateFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fusel
 methyl butyrateFL/FR
green
isobutyl methyl ketoneFL/FR
2-ethyl butyraldehydeFL
 hexyl tiglateFL/FR
3-nonanoneFL/FR
(Z)-2-penten-1-olFL/FR
herbal
isoamyl heptanoateFL/FR
 butyl levulinateFL/FR
para-menth-1-ene-9-olFL/FR
 rue oilFL/FR
 rue oil cubaFL/FR
 tagete oil egyptFL/FR
nutty
 acetalFL/FR
orris
 orris capronateFL/FR
rummy
isobutyl formateFL/FR
 ethyl pyruvateFL/FR
spicy
 myrtle oilFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
woody
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
 fruitFR
 herbalFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
1-ethylheptyl acetate
3-hydroxynonyl acetate
 non-3-yl acetate
(+/-)nonan-3-yl acetate
3-nonanol acetate
3-nonanol, acetate
3-nonanyl acetate
3-nonyl acetate
3-nonyl acetate racemic
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