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methyl undecylenate

Chemical Structure

General Material Information

Preferred name methyl undecylenate
Trivial Name Methyl 9-undecenoate
Short Description methyl 9-undecenoate
Formula C12 H22 O2
CAS Number 5760-50-9
FEMA Number 2750
Flavis Number 9.236
ECHA Number 227-279-3
FDA UNII 9SE6CRD113
Nikkaji Number J61.755E
COE Number 2101
xLogP3-AA 3.90 (est)
NMR Predictor External link
JECFA Food Flavoring 342 methyl 9-undecenoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 5760-50-9 ; METHYL 9-UNDECENOATE
Synonyms
  • methyl (E)-undec-9-enoate
  • methyl 9-undecenoate
  • methyl 9-undecylenate
  • methyl undec-9-enoate
  • methyl undecylenate natural
  • 9-undecenoic acid methyl ester
  • 9-Undecenoic 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):HMDB37305
FooDB:FDB016324
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 198.30574035645
Specific gravity @ 25 °C
Pounds per Gallon 7.314 to 7.397
Refractive Index 1.425 to 1.445 @ 20 °C
Melting Point -28 to -27°C @ 760 mm Hg
Boiling Point 247 to 248°C @ 760 mm Hg
Boiling Point 159 to 160°C @ 50 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.019 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 4.441 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
dipropylene glycol Yes
paraffin oil Yes
water, 5.496 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Earthy
earthy, fungal, rose, fatty, floral, waxy
Odor strength medium
Substantivity 24 hour(s) at 100.00 %
Luebke, William tgsc, (1998) At 100.00 %. earthy fungal rose fatty floral
Flavor Type: Waxy
waxy, oily, fatty, earthy, metallic, floral, fungal, soapy
Luebke, William tgsc, (1998) Waxy oily fatty earthy metallic floral fungal soapy

Potential Uses

Applications
Odor purposes Agrumen aldehyde, Aldehydic, Alpine bouquet, Amaryllis, Amber, Ambrette oil replacer, Animal, Apple, Crabapple, Ash mountain ash blossom, Autumn, Azalea, Bark, Bayberry, Beeswax absolute replacer, Berry, Bouquet, Boxwood, Boxwood blossom, Carrot seed, Cassia blossom, Castoreum, Cedar forest, Cedarwood, Cherry blossom, Chypre, Cilantro, Clematis, Clean linen, Clove blossom, Coconut, Cognac, Cortex, Costus, Country meadow, Crabapple blossom, Cream, Cumin oil replacer, Cyclamen, Cypress oil replacer, Daffodil, Daisy, Date, Earth, Elder berry, Elder flower, Fenugreek, Fern, Fig, Fir balsam, Floral, Flouve blossom, Foliage, Forest, Fresh and clean, Fresh outdoors, Fungus, Galangal root, Genet, Ginger white ginger, Gingergrass, Grape, Green leaf, Guaiacwood, Heather, Hollyberry, Incense, Ivy, Leather, Lychee, Maja, Malt, Marjoram, Moss, Musk, New car, Orchid, Orris, Osmanthus, Pansy, Patchouli, Peach, Peach blossom, Pear, Petunia, Pineapple, Plum blossom, Powder, Privet, Privet blossom, Rain, Raisin, Redwood, Reseda, Rose, Rose geranium, Rose tea rose, Rose white rose, Saffron, Sea breeze, Seaweed absolute replacer, Soapy sandalwood moss, Stephanotis, Stephanotis, Strawberry, Tobacco, Tonka bean, Tuberose, Tulip, Vetiver, Wine, Wintergreen
Flavoring purposes Brandy, Bread, Burnt, Caramel, Carrot seed, Cheese, Cilantro, Custard, Dairy, Fenugreek, Galangal root, Guaiacwood, Lettuce, Marjoram, Milk malted milk, Pork, Whiskey
Other purposes Cabochard, Clean, Fixer, Fruit dried fruit, Hair, Liverwort, Petal waxy petal, Vine, Waxy, Wool fat
Cosmetic purposes Deodorants, Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 42/43 - May cause sensitization by inhalation and skin contact.
S 02 - Keep out of the reach of children.
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)
Acute toxicity, Oral (Category 4), H302; Acute toxicity, Inhalation (Category 4), H332
Acute aquatic toxicity (Category 1), H400
Chronic aquatic toxicity (Category 1), H410
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H302 + H332 - Harmful if swallowed or if inhaled
H400 - Very toxic to aquatic life
H410 - Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P271 - Use only outdoors or in a well-ventilated area.
P273 - Avoid release to the environment.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P330 - Rinse mouth.
P391 - Collect spillage. Hazardous to the aquatic environment
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 [sex: M] 3000 mg/kg
(Moreno, 1977b)

oral-rat LD50 3000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 767, 1982.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 767, 1982.

skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 767, 1982.

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 methyl undecylenate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 34.00 (μg/capita/day)
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: -22.00000
beverages(nonalcoholic): -3.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -6.70000
fruit ices: -6.70000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -22.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

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 6, Revision 1 (FGE.06Rev1) - 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 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 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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):5760-50-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6435903
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl (E)-undec-9-enoate
Chemidplus:0005760509