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2-ethyl octine carbonate

Chemical Structure

General Material Information

Preferred name 2-ethyl octine carbonate
Trivial Name Ethyl 2-nonynoate
Short Description ethyl 2-nonynoate
Formula C11 H18 O2
CAS Number 10031-92-2
FEMA Number 2448
Flavis Number 9.157
ECHA Number 233-098-0
FDA UNII 853DED009T
Nikkaji Number J241.237C
MDL MFCD00036553
COE Number 480
xLogP3-AA 4.10 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1352 ethyl 2-nonynoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 10031-92-2 ; ETHYL 2-NONYNOATE
Synonyms
  • ethyl 2-nonynoate
  • ethyl non-2-ynoate
  • ethyl nonynoate
  • ethyl octinecarbonate
  • 2-ethyl octyn carbonate
  • ethyl octyne carbonate
  • 2-ethyl octyne carbonate
  • ethyl-2-nonynoate
  • 2-nonynoic acid ethyl ester
  • 2-nonynoic acid, ethyl ester
  • 2-Nonynoic acid, ethyl ester
  • NSC 190985

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

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Perfumer & Flavorists Start search
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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):HMDB36215
FooDB:FDB015073
Export Tariff Code:2912.19.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 182.26286315918
Specific gravity @ 25 °C
Pounds per Gallon 7.472 to 7.555
Refractive Index 1.443 to 1.453 @ 20 °C
Boiling Point 121 to 122°C @ 13 mm Hg
Vapor Pressure 0.011 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 104.44 °C TCC
logP (o/w) 4.239 est
Solubility
alcohol Yes
water, 46.45 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
violet leaf, green, cucumber, floral
General comment At 1.00 % in dipropylene glycol. violet leaves green cucumber floral
Flavor Type: Cucumber
cucumber, green
General comment Cucumber green
Can be used in grape, raspberry, and other berry flavors. Green

Potential Uses

Applications
Odor purposes Cassie, Frangipani plumeria, Freesia, Fruit, Jonquil, Linden flower, Orris, Reseda, Tuberose
Flavoring purposes Cucumber, Green, Jasmin, Violet
Other purposes Leaf

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Human Experience:
2 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 2850 mg/kg
Can be used in grape, raspberry, and other berry flavors.

Dermal Toxicity:
skin-rabbit LD50 5000 mg/kg
Can be used in grape, raspberry, and other berry flavors.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
IFRA Critical Effect:
Insufficient data
View the IFRA Standard
Recommendation for 2-ethyl octine carbonate usage levels up to:
PROHIBITED: Should not be used as a fragrance ingredient.
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.90 (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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -1.20000
beverages(nonalcoholic): -0.56000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.55000
fruit ices: -0.55000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -0.52000
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):

Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 71 Revision 1 (FGE.71Rev1): consideration of aliphatic, linear, a,ß-unsaturated alcohols, aldehydes, carboxylic acids, and related esters evaluated by JECFA (63rd and 69th meeting) structurally related to flavouring substances evaluated in FGE.05Rev3
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):10031-92-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61451
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
ethyl non-2-ynoate
Chemidplus:0010031922