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

methyl 2-undecynoate
methyl decine carbonate

Sponsors

Name: methyl undec-2-ynoate
CAS Number: 10522-18-6Picture of molecule3D/inchi
FDA UNII: 5Z9OPD17EP
Nikkaji Web: J534.197C
MDL: MFCD00065417
CoE Number: 2111
XlogP3-AA: 4.80 (est)
Molecular Weight: 196.28980000
Formula: C12 H20 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: 1358 methyl 2-undecynoate
Flavis Number: 09.239 (Old)
DG SANTE Food Flavourings: 09.239 methyl 2-undecynoate
FEMA Number: 2751 methyl 2-undecynoate
FDA Mainterm: METHYL 2-UNDECYNOATE
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: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.91770 25.00 °C.
Refractive Index: 1.44650 @ 20.00 °C.
Boiling Point: 230.00 °C. @ 760.00 mm Hg
Boiling Point: 121.00 °C. @ 5.00 mm Hg
Vapor Pressure: 0.004000 mm/Hg @ 25.00 °C. (est)
Flash Point: 242.00 °F. TCC ( 116.67 °C. )
logP (o/w): 4.748 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, 15.05 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: waxy
Odor Strength: medium
 waxy fruity green floral violet
Odor Description:
at 100.00 %.
waxy fruity green floral violet
 waxy fruity meaty fatty milky
Odor Description:
Waxy, fruity, meaty and fatty with a milky nuance
Mosciano, Gerard P&F 19, No. 4, 45, (1994)
Flavor Type: green
 green fruity oily fatty chicken tallow
Taste Description:
at 20.00 ppm.
Green, fruity, oily, fatty, chicken- and tallow-like
Mosciano, Gerard P&F 19, No. 4, 45, (1994)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Undecynoic Acid Methyl Ester 98+%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Methyl 2-undecynoate
TCI AMERICA
For experimental / research use only.
Methyl 2-undecynoate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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)
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: -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
EPI System: View
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
 
References:
 methyl undec-2-ynoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 10522-18-6
Pubchem (cid): 61524
Pubchem (sid): 135018034
 
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): HMDB30945
FooDB: FDB002921
Export Tariff Code: 2916.19.5050
ChemSpider: View
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
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alpha-
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2,5-
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ethyl 2-(methyl thio) acetate
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2-
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(E)-3-
hexenal
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2-
hexenal diethyl acetal
FL
hexyl (E)-2-hexenoate
FL
methyl 3-hydroxybutyrate
FL
4-
methyl pentyl 4-methyl valerate
FL
2-
methyl-2-octenal
FL
(E)-2-
methyl-2-octenal
FL
2-
methyl-3-heptanone
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
3-
octyl butyrate
FL
coconut
coconut
(R)-
massoia lactone
FL
creamy
2,4-
heptadienal
FL
massoia lactone
FL
earthy
1-
hexen-3-yl acetate
FL
fatty
2,4-
decadienal
FL
(E,E)-2,4-
decadienal
FL
diacetyl trimer
FL
chicken
fat flavor
FL
2,4-
nonadienal
FL
2,4-
octadien-1-ol
FL
fruity
ethyl (E)-2-octenoate
FL
furfuryl propionate
FL
2-
furyl pentyl ketone
FL
kiwi distillates
FL
methyl (E)-3-nonenoate
FL
(Z)-3-
nonen-1-yl acetate
FL
(Z)-5-
octen-1-yl acetate
FL
green
3,4-
dimethoxystyrene
FL
2-
ethyl butyraldehyde
FL
(E,E)-2,4-
hexadienal
FL
(E)-2-
hexenal diethyl acetal
FL
(E)-3-
hexenoic acid
FL
3-(5-
methyl-2-furyl) butanal
FL
4-
methyl-2-pentenal
FL
(E,E)-2,4-
octadienal
FL
2,4-
octadienal
FL
pungent
acetaldehyde
FL
sour
3-
methyl valeric acid
FL
tropical
guava distillates
FL
psidium guajava fruit
FL
 
Potential Uses:
 citrusFL
 fatFL
 fruit 
 kiwiFL
 milkFL
 violetFL
 waxy 
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
 methyl decin carbonate
 methyl decine carbonate
 methyl decyne carbonate
 methyl undec-2-ynoate
2-undecynoic acid methyl ester
2-undecynoic acid, methyl ester
 

Articles:

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Notes:
Flavouring ingredient
 
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