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4-hydroxy-4-methyl-5-hexenoic acid gamma 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: | 1073-11-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 214-024-6 | |
| FDA UNII: | S2GF56OA97 | |
| Nikkaji Web: | J109.966C | |
| XlogP3-AA: | 1.00 (est) | |
| Molecular Weight: | 126.15510000 | |
| Formula: | C7 H10 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | CASrn in Register does not specify stereoisomers. Racemate (EFFA, 2010a). | |
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 |
| JECFA Food Flavoring: | 1157 4-hydroxy-4-methyl-5-hexenoic acid gamma lactone |
| DG SANTE Food Flavourings: | 10.070 4-methyl-5-hexen-1,4-olide |
| FEMA Number: | 4051 4-hydroxy-4-methyl-5-hexenoic acid gamma lactone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1073-11-6 ; 4-HYDROXY-4-METHYL-5-HEXENOIC ACID GAMMA LACTONE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.01500 to 1.02500 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.456 to 8.539 |
| Refractive Index: | 1.45700 to 1.46200 @ 20.00 °C. |
| Boiling Point: | 219.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.244000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 166.00 °F. TCC ( 74.44 °C. ) |
| logP (o/w): | 0.463 (est) |
| Soluble in: | |
| alcohol | |
| water, 1.559e+004 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| Odor Strength: | low |
| fruity minty | |
| Odor Description: at 100.00 %. | fruity minty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 2(3H)-Furanone,5-ethenyldihydro-5-methyl- |
| Parchem |
| lilac lactone |
| 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 lilac lactone usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.20 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 3.00 (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: 21 | |||
| Click here to view publication 21 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 100.00000 | 200.00000 | |
| beverages(nonalcoholic): | 50.00000 | 100.00000 | |
| beverages(alcoholic): | 50.00000 | 100.00000 | |
| breakfast cereal: | 100.00000 | 200.00000 | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 75.00000 | 150.00000 | |
| fruit ices: | 50.00000 | 100.00000 | |
| gelatins / puddings: | 50.00000 | 100.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 100.00000 | 200.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 50.00000 | 100.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 75.00000 | 150.00000 | |
| 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): | |
| Flavouring Group Evaluation 80 (FGE.80) - Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008) View page or View pdf | |
| Flavouring Group Evaluation 80, Revision 1 (FGE.80Rev1): Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008) 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 | |
| Scientific Opinion on Flavouring Group Evaluation 217 Revision 2 (FGE.217Rev2), consideration of genotoxic potential for a,ß-unsaturated ketones and precursors from chemical subgroup 4.1 of FGE.19: lactones View page or View pdf | |
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 1073-11-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 102550 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 5-ethenyl-5-methyloxolan-2-one | |
| Chemidplus: | 0001073116 |
References:
| 5-ethenyl-5-methyloxolan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1073-11-6 |
| Pubchem (cid): | 102550 |
| Pubchem (sid): | 135058415 |
| Pherobase: | View |
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): | HMDB32333 |
| FooDB: | FDB009606 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
Potential Blenders and core components note
| For Odor | ||
| floral | ||
| citronellal diisotridecyl acetal | FR | |
| mentholic | ||
| menthyl acetate | FL/FR | |
| menthyl acetate racemic | FL/FR | |
| minty | ||
| carvyl propionate | FL/FR | |
| tropical | ||
| beta- | cyclocitral | FL/FR |
| For Flavor | ||
| No flavor group found for these | ||
| carvyl propionate | FL/FR | |
| limonen-10-yl acetate | FL | |
| menthyl acetate racemic | FL/FR | |
| cooling | ||
| menthyl acetate | FL/FR | |
| tropical | ||
| beta- | cyclocitral | FL/FR |
Potential Uses:
| floral | FR |
Occurrence (nature, food, other): note
| daphne mezereum Search Trop Picture | |
| jasminum sambac Search Trop Picture | |
| macrozamia moorei Search Trop Picture | |
| syringa oblata var. alba Search Trop Picture |
Synonyms:
| dihydro-5-methyl-5-vinyl furan-2(3H)-one | |
| dihydro-5-methyl-5-vinyl-2(3H)-furanone | |
| dihydro-5-methyl-5-vinylfuran-2(3H)-one | |
| 5- | ethenyl dihydro-5-methyl-2(3H)-furanone |
| 5- | ethenyl-5-methyldihydrofuran-2(3H)-one |
| 5- | ethenyl-5-methyloxolan-2-one |
| 2(3H)- | furanone, 5-ethenyldihydro-5-methyl- |
| 2(3H)- | furanone, dihydro-5-methyl-5-vinyl- |
| 4- | hydroxy-4-methyl-5-hexenoic acid gamma lactone |
| lavender lactone | |
| 4- | methyl-4-vinyl-1,4-butanolide |
| methyl-5-ethenyl dihydro-5-2(3H)-furanone | |
| 4- | methyl-5-hexen-1,4-olide |
| 5- | methyl-5-vinyl dihydrofuran-2-one |
| 5- | methyl-5-vinyldihydrofuran-2(3H)-one |
| 5- | methyl-5-vinyltetrahydro-2-furanone |