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butyl undecylenate

Chemical Structure

General Material Information

Preferred name butyl undecylenate
Trivial Name Butyl 10-undecenoate
Short Description butyl 10-undecenoate
Formula C15 H28 O2
CAS Number 109-42-2
FEMA Number 2216
Flavis Number 9.238
ECHA Number 203-670-4
FDA UNII O3OKK2UWV6
Nikkaji Number J61.753I
Beilstein Number 1776569
MDL MFCD00048776
COE Number 2103
xLogP3-AA 5.50 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 344 butyl 10-undecenoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 109-42-2 ; BUTYL 10-UNDECENOATE
Synonyms
  • butyl 10-undecenoate
  • butyl 10-undecylenate
  • butyl 10-undecylenoate
  • butyl undec-10-enoate
  • butyl undecenoate
  • butyl undecylenoate
  • 10-undecenoic acid butyl ester
  • 10-undecenoic acid, butyl ester
  • 10-Undecenoic acid, butyl ester
  • NSC 2395
  • n-Butyl 10-undecenoate

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):HMDB36426
FooDB:FDB015313
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 240.38656616211
Specific gravity @ 20 °C
Pounds per Gallon 7.598 to 7.681
Boiling Point 249 to 254°C @ 756 mm Hg
Boiling Point 125 to 128°C @ 3 mm Hg
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 5.981 est
Solubility
alcohol Yes
water, 0.1556 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fatty
fatty, buttery, winey, floral, fruity, fusel
Odor strength medium
Substantivity 344 hour(s) at 100.00 %
Luebke, William tgsc, (1986) At 100.00 %. fatty butter wine floral fruity
Flavor Type: Waxy
waxy, fatty, oily, buttery, soapy
Luebke, William tgsc, (1986) Waxy fatty oily buttery soapy

Potential Uses

Applications
Odor purposes Apricot, Butter, Costus, Saffron
Flavoring purposes Brandy, Nut
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 5000 mg/kg
(Moreno, 1977b)

oral-rat LD50 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 729, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 729, 1979.

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 butyl undecylenate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.037 (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: -7.80000
beverages(nonalcoholic): -0.90000
beverages(alcoholic): -5.00000
breakfast cereal: --
cheese: --
chewing gum: 0.4000060.00000
condiments / relishes: --
confectionery froastings: -5.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.00000
fruit ices: -2.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -6.60000
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):109-42-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61027
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
butyl undec-10-enoate
Chemidplus:0000109422
RTECS:YQ2978000 for cas# 109-42-2