EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-ethyl octine carbonate
ethyl 2-nonynoate

Sponsors

Name:ethyl non-2-ynoate
CAS Number: 10031-92-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:233-098-0
FDA UNII:853DED009T
Nikkaji Web:J241.237C
MDL:MFCD00036553
CoE Number:480
XlogP3-AA:4.10 (est)
Molecular Weight:182.26286000
Formula:C11 H18 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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:1352 ethyl 2-nonynoate
FLAVIS Number:09.157 (Old)
DG SANTE Food Flavourings:09.157 ethyl 2-nonynoate
FEMA Number:2448 ethyl 2-nonynoate
FDA Mainterm: ETHYL 2-NONYNOATE
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.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.89800 to 0.90800 @ 25.00 °C.
Pounds per Gallon - (est).: 7.472 to 7.555
Refractive Index:1.44300 to 1.45300 @ 20.00 °C.
Boiling Point: 121.00 to 122.00 °C. @ 13.00 mm Hg
Boiling Point: 85.00 °C. @ 2.00 mm Hg
Vapor Pressure:0.011000 mm/Hg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point:> 220.00 °F. TCC ( > 104.44 °C. )
logP (o/w): 4.239 (est)
Soluble in:
 alcohol
 water, 46.45 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
violet leaf green cucumber floral
Odor Description:at 1.00 % in dipropylene glycol. violet leaves green cucumber floral
Flavor Type: cucumber
">cucumber green
Taste Description: cucumber green
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
ETHYL OCTINE CARBONATE ≥98.0%, kosher
Odor Description:A floral, violet odor
Taste Description:green
Can be used in grape, raspberry, and other berry flavors.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
ETHYL OCTINE CARBONATE
≥98.0%, kosher
Odor: A floral, violet odor
Flavor: green
Can be used in grape, raspberry, and other berry flavors.
BOC Sciences
For experimental / research use only.
Ethyl 2-nonynoate
Parchem
2-ethyl octine carbonate
Penta International
ETHYL-2-NONYNOATE, Kosher
Synerzine
Ethyl 2-nonynoate
TCI AMERICA
For experimental / research use only.
Ethyl 2-Nonynoate
 
Safety Information:
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: Sensitization
IFRA: View 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)
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
 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
EPI System: View
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
 
References:
 ethyl non-2-ynoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:10031-92-2
Pubchem (cid):61451
Pubchem (sid):135017164
 
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB36215
FooDB:FDB015073
Export Tariff Code:2912.19.5000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
pseudo-iso
methyl ionone
CS
pseudo
methyl ionone
CS
aldehydic
aldehydic
muguet undecadienal
FR
citrus
grapefruit pentanol
FR
petitgrain combava oil
FR
floral
anisyl propanal / methyl anthranilate schiff's base
FR
coranol (Firmenich)
FR
cumin carbinol
FR
dimethyl alpha-ionone
FR
6,8-
dimethyl-2-nonanol
FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
floral butanal
FR
gardenia absolute
FR
ho leaf oil
FR
ho wood oil
FR
alpha-
ionyl acetate
FR
jasmin cyclopentanol
FR
jonquil absolute
FR
N-
methyl ionone
FR
ocean propanal / methyl anthranilate schiff's base
FR
orris butenone
FR
orris pyridine 25% IPM
FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
sweet pea absolute
FR
tetrahydroionol
FR
verdyl acetate
FR
violet methyl carbonate
FR
fruity
peach pivalate
FR
green
3,5,6-neo
cyclocitral
FR
hexoxyacetaldehyde dimethyl acetal
FR
ivy carbaldehyde / methyl anthranilate schiff's base
FR
ivy dioxolane
FR
methyl cyclocitrone (IFF)
FR
4-
methyl-4-phenyl pentanone
FR
2-
nonyn-1-al dimethyl acetal
FR
octyl oxyacetaldehyde
FR
iso
propyl phenyl propionaldehyde
FR
violet decenol
FR
violet dienyne
FR
violet leaf concrete
FR
violet nitrile
FR
herbal
herbal heptane
FR
marine
marine hexane
FR
woody
violet propanol
FR
For Flavor
No flavor group found for these
alpha-
campholene acetate
FL
(Z)-6-
decenal
FL
(E)-2-
hexenal
FL
2-
hexenal
FL
3-
methyl-3-pentanol
FL
2,4,6-
nonatrienal
FL
green
green
cucumber distillates
FL
methyl 2-undecynoate
FL
(E,E)-2,6-
nonadienal
FL
 
Potential Uses:
 cassie acacia farnesiana
FLcucumber
 frangipanni plumeria
 freesia
 fruit
FLgreen
FLjasmin
 jonquil narcissus jonquilla
 leaf
 linden blossom limeflower tilleul
 orris iris
 reseda mignonette
 tuberose tubereuse
FLviolet
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 

Articles:

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Notes:
Flavouring ingredient
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