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linalyl propionate
General Material Information
| Preferred name | linalyl propionate |
| Trivial Name | Linalyl propionate |
| Short Description | propionic acid, linalyl ester |
| Formula | C13 H22 O2 |
| CAS Number | 144-39-8 |
| Deleted CAS Number | 94346-06-2 |
| FEMA Number | 2645 |
| Flavis Number | 9.13 |
| ECHA Number | 205-627-5 |
| FDA UNII | BI845A018T |
| Nikkaji Number | J101.829I |
| MDL | MFCD00048607 |
| COE Number | 411 |
| xLogP3-AA | 3.80 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 360 linalyl propionate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 144-39-8 ; LINALYL PROPIONATE |
| 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 |
Literature & References
| 3,7-dimethylocta-1,6-dien-3-yl propanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 144-39-8 |
| Pubchem (cid): | 61098 |
| Pubchem (sid): | 135017287 |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB30425 |
| FooDB: | FDB002289 |
| Export Tariff Code: | 2915.50.3000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 210.31674194336 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.431 to 7.506 |
| Refractive Index | 1.449 to 1.454 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.026 mmHg @ 25 °C |
| Flash Point TCC Value | 97.22 °C TCC |
| logP (o/w) | 4.416 est |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| water, 17 mg/L @ 20 °C (exp) | Yes |
| glycerin | No |
| water | No |
| Stability | |
| detergent | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| fresh, bergamot, lily, woody, rose, rummy | |
| Odor strength | medium |
| Substantivity | 12 hour(s) at 100.00 % |
| Luebke, William tgsc, (1996) | At 100.00 %. fresh bergamot lily woody rose rum |
| Flavor Type: Herbal | |
| bergamot, herbal, floral, woody, citrus, fruity | |
| Luebke, William tgsc, (1996) | Bergamot herbal floral woody citrus fruity |
| General comment | Freshly fruity, floral, somewhat citrusy |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apricot , Banana , Bergamot , Chypre , Civet , Clary sage oil replacer , Cranberry , Currant black currant , Elder flower , Fern , Freesia , Gooseberry , Hop , Jasmin , Lavender , Lilac , Lily , Lily of the valley , Mimosa , Opoponax , Pear , Pineapple , Rose , Sage , Violet , Ylang ylang |
| Other purposes | Origan |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| 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: | |
| 8 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg (Moreno, 1973p) oral-mouse LD50 [sex: M] 13874 mg/kg (Hoffman-LaRoche, Inc., 1967b) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 839, 1975. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 839, 1975. | |
| 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 propionate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 13.00 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 12.00000 | |
| beverages(nonalcoholic): | - | 4.90000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.60000 | |
| fruit ices: | - | 3.60000 | |
| gelatins / puddings: | - | 4.40000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.30000 | |
| 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):144-39-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61098 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3,7-dimethylocta-1,6-dien-3-yl propanoate |
| Chemidplus:0000144398 |
| RTECS:RG5927903 for cas# 144-39-8 |