Articles:
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5-hydroxy-2-dodecenoic acid delta-lactone
Notes:
Used as a food additive [EAFUS]
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 16400-72-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 240-453-3 | |
| FDA UNII: | 407E8N1CFC | |
| Nikkaji Web: | J286.890C | |
| XlogP3-AA: | 4.20 (est) | |
| Molecular Weight: | 196.28980000 | |
| Formula: | C12 H20 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | Racemate (EFFA, 2011a). At least 88% 6-heptyl-5,6-dihydro-2H-pyran-2-one; secondary components 3-5% E-6-(3-heptenyl)-5,6-dihydro-2H-pyran-2-one and 1-2% 6-heptyl-3,6-dihydro-2H-pyran-2-one. (EFSA) | |
Category: flavor and fragrance 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 |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 438 5-hydroxy-2-dodecenoic acid delta-lactone |
| DG SANTE Food Flavourings: | 10.044 dodec-2-eno-1,5-lactone |
| FEMA Number: | 3802 5-hydroxy-2-dodecenoic acid delta-lactone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 16400-72-9 ; 5-HYDROXY-2-DODECENOIC ACID LACTONE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.47000 to 1.48000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 12.232 to 12.315 |
| Refractive Index: | 1.46700 to 1.47300 @ 20.00 °C. |
| Boiling Point: | 315.00 to 317.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 115.00 °C. @ 2.00 mm Hg |
| Vapor Pressure: | 0.000360 mmHg @ 25.00 °C. (est) |
| Flash Point: | 267.00 °F. TCC ( 130.56 °C. ) |
| logP (o/w): | 3.438 (est) |
| Soluble in: | |
| alcohol | |
| water, 64.91 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: coconut | |
| Odor Strength: | medium |
| coconut lactonic creamy fatty | |
| Odor Description: at 100.00 %. | coconut lactonic creamy fatty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 5-Hydroxy-2-decenoic Acid Lactone |
| Parchem |
| delta-2-dodecenolactone |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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 | ||
| 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 ppm | average maximum ppm | ||
| baked goods: | 0.50000 | 5.00000 | |
| beverages(nonalcoholic): | 1.00000 | 5.00000 | |
| beverages(alcoholic): | 2.00000 | 5.00000 | |
| breakfast cereal: | 1.00000 | 5.00000 | |
| cheese: | 0.50000 | 5.00000 | |
| chewing gum: | 2.00000 | 15.00000 | |
| condiments / relishes: | 0.10000 | 5.00000 | |
| confectionery froastings: | 3.00000 | 25.00000 | |
| egg products: | 0.10000 | 5.00000 | |
| fats / oils: | 5.00000 | 15.00000 | |
| fish products: | 0.10000 | 5.00000 | |
| frozen dairy: | 0.10000 | 5.00000 | |
| fruit ices: | 0.10000 | 5.00000 | |
| gelatins / puddings: | 0.10000 | 10.00000 | |
| granulated sugar: | 0.10000 | 5.00000 | |
| gravies: | 2.00000 | 25.00000 | |
| hard candy: | 1.00000 | 10.00000 | |
| imitation dairy: | 2.00000 | 25.00000 | |
| instant coffee / tea: | 2.00000 | 15.00000 | |
| jams / jellies: | 0.10000 | 5.00000 | |
| meat products: | 0.10000 | 5.00000 | |
| milk products: | 0.50000 | 5.00000 | |
| nut products: | 0.10000 | 5.00000 | |
| other grains: | 1.00000 | 5.00000 | |
| poultry: | 0.10000 | 5.00000 | |
| processed fruits: | - | - | |
| processed vegetables: | 0.10000 | 5.00000 | |
| reconstituted vegetables: | 0.10000 | 5.00000 | |
| seasonings / flavors: | 0.10000 | 5.00000 | |
| snack foods: | 1.00000 | 15.00000 | |
| soft candy: | 3.00000 | 10.00000 | |
| soups: | 0.10000 | 5.00000 | |
| sugar substitutes: | 0.10000 | 5.00000 | |
| sweet sauces: | 0.10000 | 5.00000 | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of lactones used as flavor ingredients. View pdf | |
| 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 |
References:
| 6-heptyl-5,6-dihydropyran-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 61834 |
| Pubchem (sid): | 135017061 |
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 |
Potential Blenders and core components note
Potential Uses:
| coconut | FR | |
| dairy | FL | |
| tropical | FL | |
| vanilla | FR |
Occurrence (nature, food, other): note
| cryptocarya cunninghamii meissener Search Trop Picture |
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- |