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delta-2-dodecenolactone

Chemical Structure

General Material Information

Preferred name delta-2-dodecenolactone
Trivial Name 2-Dodecen-5-olide
Short Description 5-hydroxy-2-dodecenoic acid delta-lactone
Formula C12 H20 O2
CAS Number 16400-72-9
FEMA Number 3802
Flavis Number 10.044
ECHA Number 240-453-3
FDA UNII 407E8N1CFC
Nikkaji Number J286.890C
xLogP3-AA 4.20 (est)
NMR Predictor External link
JECFA Food Flavoring 438 5-hydroxy-2-dodecenoic acid delta-lactone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 16400-72-9 ; 5-HYDROXY-2-DODECENOIC ACID LACTONE
Synonyms
  • dodec-2-en-5-olide
  • dodec-2-eno-1,5-lactone
  • d-2-dodecenolactone
  • 5-heptyl-2-pentene-5-olide
  • 6-heptyl-5,6-dihydro-2-pyrone
  • 6-heptyl-5,6-dihydro-2H-pyran-2-one
  • 6-heptyl-5,6-dihydropyran-2-one
  • 5-hydroxy-2-dodecenoic acid d-lactone
  • 5-hydroxy-2-dodecenoic acid delta-lactone
  • 2H- pyran-2-one, 6-heptyl-5,6-dihydro-
  • 6-heptyl-5,6-dihydropyran-2-one
  • 2H-Pyran-2-one, 6-heptyl-5,6-dihydro-
  • 6-Heptyl-5,6-dihydro-2H-pyran-2-one
  • 2-Dodecenoic acid, 5-hydroxy-, δ-lactone
  • 5-Hydroxydodec-2-enoic acid δ-lactone
  • 2-Dodecen-5-olide

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):HMDB31030
FooDB:FDB003024
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 196.28979492188
Specific gravity @ 25 °C
Pounds per Gallon 12.232 to 12.315
Refractive Index 1.467 to 1.473 @ 20 °C
Boiling Point 315 to 317°C @ 760 mm Hg
Vapor Pressure 0.00036 mmHg @ 25 °C
Flash Point TCC Value 130.56 °C TCC
logP (o/w) 3.438 est
Solubility
alcohol Yes
water, 64.91 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Coconut
coconut, lactonic, creamy, fatty
General comment At 100.00 %. coconut lactonic creamy fatty

Occurrences

Potential Uses

Applications
Odor purposes Coconut, Vanilla
Flavoring purposes Dairy, Tropical

Safety Information

Safety information

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:
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 delta-2-dodecenolactone usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 8.60 (μg/capita/day)
Structure Class: III
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: 17
Click here to view publication 17
average usual ppmaverage maximum ppm
baked goods: 0.500005.00000
beverages(nonalcoholic): 1.000005.00000
beverages(alcoholic): 2.000005.00000
breakfast cereal: 1.000005.00000
cheese: 0.500005.00000
chewing gum: 2.0000015.00000
condiments / relishes: 0.100005.00000
confectionery froastings: 3.0000025.00000
egg products: 0.100005.00000
fats / oils: 5.0000015.00000
fish products: 0.100005.00000
frozen dairy: 0.100005.00000
fruit ices: 0.100005.00000
gelatins / puddings: 0.1000010.00000
granulated sugar: 0.100005.00000
gravies: 2.0000025.00000
hard candy: 1.0000010.00000
imitation dairy: 2.0000025.00000
instant coffee / tea: 2.0000015.00000
jams / jellies: 0.100005.00000
meat products: 0.100005.00000
milk products: 0.500005.00000
nut products: 0.100005.00000
other grains: 1.000005.00000
poultry: 0.100005.00000
processed fruits: --
processed vegetables: 0.100005.00000
reconstituted vegetables: 0.100005.00000
seasonings / flavors: 0.100005.00000
snack foods: 1.0000015.00000
soft candy: 3.0000010.00000
soups: 0.100005.00000
sugar substitutes: 0.100005.00000
sweet sauces: 0.100005.00000

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) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 98 (FGE.98): Consideration of three ring-unsaturated delta-lactones
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):16400-72-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61834
National Institute of Allergy and Infectious Diseases:Data
6-heptyl-5,6-dihydropyran-2-one
Chemidplus:0016400729