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ethyl nonanoate

Chemical Structure

General Material Information

Preferred name ethyl nonanoate
Trivial Name Ethyl nonanoate
Short Description ethyl pelargonate
Formula C11 H22 O2
CAS Number 123-29-5
FEMA Number 2447
ECHA Number 204-615-7
FDA UNII KSH683S98J
Nikkaji Number J5.539E
Beilstein Number 1759169
MDL MFCD00009570
COE Number 388
xLogP3-AA 4.00 (est)
NMR Predictor External link
JECFA Food Flavoring 34 ethyl nonanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 123-29-5 ; ETHYL NONANOATE
Synonyms
  • ethyl nonanoate (ethyl pelargonate)
  • ethyl nonanoate (pelargonate)
  • ethyl nonanoate FCC
  • ethyl nonylate
  • ethyl pelargonate
  • ethyl pelargonate FCC
  • ethyl pelargonate natural
  • ethyl-pelargonate (ethyl-nonanoate)
  • nonanoic acid ethyl ester
  • nonanoic acid, ethyl ester
  • wine ether
  • Pelargonic acid ethyl ester
  • Ethyl n-nonanoate
  • NSC 8901

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40193
FooDB:FDB019905
YMDB (Yeast Metabolome Database):YMDB01354
Export Tariff Code:2915.90.1800
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 186.29473876953
Specific gravity @ 25 °C
Pounds per Gallon 7.181 to 7.198
Refractive Index 1.421 to 1.426 @ 20 °C
Melting Point -45 to -44°C @ 760 mm Hg
Boiling Point 228 to 229°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.116 mmHg @ 25 °C
Vapor Density 6.4
Flash Point TCC Value 76.67 °C TCC
logP (o/w) 4.352 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
propylene glycol Yes
water, 10.87 mg/L @ 25 °C (est) Yes
water, 29.5 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Waxy
fruity, rose, waxy, rummy, winey, natural, tropical, cognac, estery, apple, banana
Odor strength medium
Substantivity 12 hour(s) at 100.00 %
Luebke, William tgsc, (1984) At 100.00 %. fruity rose waxy rum wine natural tropical
Mosciano, Gerard P&F 23, No. 5, 49, (1998) At 5.00 %. Waxy, cognac, estery, fruity apple and banana, tropical, winey
Flavor Type: Waxy
waxy, soapy, cognac, estery, fruity, tropical, grape
Mosciano, Gerard P&F 23, No. 5, 49, (1998) At 25.00 ppm. Waxy, soapy, cognac, estery fruity and tropical, grape
General comment Fatty-oily, fruity, nutty, wine-note; estry, green, waxy with banana and tropical nuances

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Skin irritation (Category 2), H315
Eye irritation (Category 2A), H319
Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H315 - Causes skin irritation
H319 - Causes serious eye irritation
H335 - May cause respiratory irritation
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash skin thouroughly after handling.
P271 - Use only outdoors or in a well-ventilated area.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P337 + P313 - IF eye irritation persists: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P403 + P233 - Store in a well-ventilated place. Keep container tightly closed.
P405 - Store locked up.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
12 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 43000 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

oral-guinea pig LD50 24000 mg/kg
GASTROINTESTINAL: ULCERATION OR BLEEDING FROM DUODENUM GASTROINTESTINAL: GASTRITIS
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

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 ethyl nonanoate usage levels up to:
8.0000 % in the fragrance concentrate.
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: -15.00000
beverages(nonalcoholic): -3.90000
beverages(alcoholic): -20.00000
breakfast cereal: --
cheese: --
chewing gum: -580.00000
condiments / relishes: --
confectionery froastings: -39.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.00000
fruit ices: -4.00000
gelatins / puddings: -15.00000
granulated sugar: --
gravies: --
hard candy: -14.00000
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 Authority (EFSA) reference(s):

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5
View page or View pdf

Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

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

Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf

Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):123-29-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31251
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
ethyl nonanoate
Chemidplus:0000123295
RTECS:RA6845000 for cas# 123-29-5