| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 3301-94-8 |
| ECHA EC Number: | 221-974-5 |
| FDA UNII: | DMB99B4WCF |
| CoE Number: | 2194 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | delta-nonalactone |
| InChI : | InChI=1/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3 |
| Std.InChI: | InChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3 |
| InChIKey : | PXRBWNLUQYZAAX-UHFFFAOYAT |
| Std.InChIKey: | PXRBWNLUQYZAAX-UHFFFAOYSA-N |
| SMILES : | CCCCC1CCCC(=O)O1 |
| MDL: | MFCD00286440 |
| Molar Refractivity : | 43.38 ± 0.3 cm3 (est) |
| Parachor : | 384.3 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.440 ± 0.02 (est) |
| Surface Tension : | 29.7 ± 3.0 dyne/cm (est) |
| Density : | 0.949 ± 0.06 g/cm3 (est) |
| Polarizability : | 17.19 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| 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: | 230 5-hydroxynonanoic acid delta-lactone |
| DG SANTE Food Flavourings: | 10.014 nonano-1,5-lactone |
| FEMA Number: | 3356 delta-nonalactone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 3301-94-8 ; HYDROXYNONANOIC ACID, DELTA-LACTONE |
| Appearance: | colorless to pale yellow clear oily liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 0.99400 to 0.99900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.271 to 8.313 |
| Refractive Index: | 1.45200 to 1.45800 @ 20.00 °C. |
| Boiling Point: | 115.00 to 116.00 °C. @ 2.00 mm Hg |
| Boiling Point: | 250.00 °C. @ 760.00 mm Hg |
| Acid Value: | 3.00 max. KOH/g |
| Vapor Pressure: | 0.018000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 1.959 (est) |
| Soluble in: | |
| alcohol | |
| dipropylene glycol | |
| water, very slightly | |
| water, 1201 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Human Experience: | |
| 10 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| 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-nonalactone usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 130.00 (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: 6 | |||
| Click here to view publication 6 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 4.00000 | |
| beverages(nonalcoholic): | - | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | 2.00000 | |
| fish products: | - | - | |
| frozen dairy: | - | 2.00000 | |
| fruit ices: | - | 2.00000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 2.00000 | |
| 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: | - | - | |
| 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 |
| Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - 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 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): 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 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):3301-94-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :18698 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1224 |
| WGK Germany:3 |
| 6-butyloxan-2-one |
| Chemidplus:0003301948 |
| 6-butyloxan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3301-94-8 |
| Pubchem (cid): | 18698 |
| Pubchem (sid): | 134983605 |
| Pherobase: | View |
| (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): | HMDB31514 |
| FooDB: | FDB008107 |
| Export Tariff Code: | 2932.20.5050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| 6- | butyl tetrahydro-2H-pyran-2-one |
| 5- | butyl-5-hydroxypentanoic acid lactone |
| 5-N- | butyl-5-hydroxypentanoic acid lactone |
| 5- | butyl-d-valerolactone |
| d- | butyl-d-valerolactone |
| 5- | butyl-delta-valerolactone |
| 5-N- | butyl-delta-valerolactone |
| delta- | butyl-delta-valerolactone |
| 6- | butyloxan-2-one |
| 6- | butyltetrahydro-2H-pyran-2-one |
| hydroxynonanoic acid d-lactone | |
| 5- | hydroxynonanoic acid d-lactone |
| 5- | hydroxynonanoic acid delta-lactone |
| 5- | hydroxynonanoic acid lactone |
| d- | hydroxypelargonic acid lactone |
| delta- | hydroxypelargonic acid lactone |
| 5- | nonalactone |
| d- | nonalactone |
| nonalactone delta | |
| delta- | nonalactone FCC |
| delta- | nonalactone natural |
| nonano-1,5-lactone | |
| nonanoic acid, 5-hydroxy-, d-lactone | |
| d- | nonanolactone |
| 5- | nonanolide |
| 2H- | pyran-2-one, 6-butyltetrahydro- |
