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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 |