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methyl 2-undecynoate

Chemical Structure

General Material Information

Preferred name methyl 2-undecynoate
Trivial Name Methyl 2-undecynoate
Short Description methyl decine carbonate
Formula C12 H20 O2
CAS Number 10522-18-6
FEMA Number 2751
Flavis Number 9.239
FDA UNII 5Z9OPD17EP
Nikkaji Number J534.197C
MDL MFCD00065417
COE Number 2111
xLogP3-AA 4.80 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1358 methyl 2-undecynoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 10522-18-6 ; METHYL 2-UNDECYNOATE
Synonyms
  • methyl decin carbonate
  • methyl decine carbonate
  • methyl decyne carbonate
  • methyl undec-2-ynoate
  • 2-undecynoic acid methyl ester
  • 2-undecynoic acid, methyl ester
  • 2-Undecynoic acid, methyl ester

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
HMDB (The Human Metabolome Database):HMDB30945
FooDB:FDB002921
Export Tariff Code:2916.19.5050
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 196.28979492188
Specific gravity @ 20 °C
Pounds per Gallon 7.623 to 7.673
Refractive Index 1.443 to 1.449 @ 20 °C
Vapor Pressure 0.004 mmHg @ 25 °C
Flash Point TCC Value 116.67 °C TCC
logP (o/w) 4.748 est
Solubility
alcohol Yes
dipropylene glycol Yes
water, 15.05 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Waxy
waxy, fruity, green, floral, violet, meaty, fatty, milky
General comment At 100.00 %. waxy fruity green floral violet
Mosciano, Gerard P&F 19, No. 4, 45, (1994) Waxy, fruity, meaty and fatty with a milky nuance
Flavor Type: Green
green, fruity, oily, fatty, chicken, tallow
Mosciano, Gerard P&F 19, No. 4, 45, (1994) At 20.00 ppm. Green, fruity, oily, fatty, chicken- and tallow-like

Potential Uses

Applications
Odor purposes Fruit
Flavoring purposes Citrus, Fat, Kiwi, Milk, Violet
Other purposes Waxy

Safety Information

Safety information

Preferred SDS: View
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

Safety in use information

Category:
flavoring agents
Recommendation for methyl 2-undecynoate usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.04 (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: -15.00000
beverages(nonalcoholic): 0.100005.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -20.00000
fruit ices: -20.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -15.00000
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 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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61524
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl undec-2-ynoate
Chemidplus:0010522186