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linalyl butyrate
General Material Information
| Preferred name | linalyl butyrate |
| Trivial Name | Linalyl butyrate |
| Short Description | butyric acid, linalyl ester |
| Formula | C14 H24 O2 |
| CAS Number | 78-36-4 |
| FEMA Number | 2639 |
| Flavis Number | 9.05 |
| ECHA Number | 201-109-8 |
| FDA UNII | 7K9F6ZOH3S |
| Nikkaji Number | J183.076G |
| MDL | MFCD00048716 |
| COE Number | 276 |
| xLogP3-AA | 4.10 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 361 linalyl butyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 78-36-4 ; LINALYL BUTYRATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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): | HMDB30427 |
| FooDB: | FDB002291 |
| Export Tariff Code: | 2915.60.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 224.34367370605 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.364 to 7.614 |
| Refractive Index | 1.44 to 1.47 @ 20 °C |
| Boiling Point | 80 to 82°C @ 0.2 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.009 mmHg @ 25 °C |
| Flash Point TCC Value | 103.33 °C TCC |
| logP (o/w) | 4.926 est |
| Solubility | |
| alcohol | Yes |
| water, 0.8485 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| bergamot, fruity, banana, berry, floral, sweet, blueberry, pineapple, citrus, spicy | |
| General comment | At 100.00 %. bergamot fruity banana berry |
| Mosciano, Gerard P&F 19, No. 2, 55, (1994) | Floral, fruity, sweet, blueberry, pineapple-like and citrus with a slight spice nuance |
| Flavor Type: Floral | |
| floral, terpenic, fruity, citrus, berry | |
| Mosciano, Gerard P&F 19, No. 2, 55, (1994) | At 20.00 ppm. Floral, terpy, fruity, citrus and berry |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple, Balsam, Banana, Bergamot, Blueberry, Chypre, Citrus, Cologne, Fern, Honey, Jasmin, Lavender, Lilac, Mandarin, Melon, Mimosa, Pear, Pineapple, Plum, Rose |
| Flavoring purposes | Plum greengage plum, Tea |
| 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. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg (Levenstein, 1975i) oral-mouse LD50 [sex: M] > 8907 mg/kg (Hoffman-LaRoche, Inc., 1967b) | |
| 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 linalyl butyrate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 8.40 (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 ppm | average maximum ppm | ||
| baked goods: | - | 13.00000 | |
| beverages(nonalcoholic): | - | 1.20000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 4.30000 | |
| fruit ices: | - | 4.30000 | |
| gelatins / puddings: | - | 0.09000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.20000 | |
| 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 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6 View page or View pdf |
| Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):78-36-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62321 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3,7-dimethylocta-1,6-dien-3-yl butanoate |
| Chemidplus:0000078364 |