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linalyl benzoate
General Material Information
| Preferred name | linalyl benzoate |
| Trivial Name | Linalyl benzoate |
| Short Description | benzoic acid, linalyl ester |
| Formula | C17 H22 O2 |
| CAS Number | 126-64-7 |
| FEMA Number | 2638 |
| Flavis Number | 9.771 |
| ECHA Number | 204-796-2 |
| FDA UNII | 2ADP7IT9Y3 |
| Nikkaji Number | J60.347C |
| MDL | MFCD00048302 |
| COE Number | 654 |
| xLogP3-AA | 5.00 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 859 linalyl benzoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 126-64-7 ; LINALYL BENZOATE |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB30431 |
| FooDB: | FDB002295 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| BOC Sciences | Fleurchem |
| Givaudan | Lluch Essence |
| M&U International | Moellhausen |
| Penta International | Sigma-Aldrich |
| Vigon International | M&U International LLC |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 258.36074829102 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.155 to 8.246 |
| Refractive Index | 1.507 to 1.51 @ 20 °C |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 4.7E-5 mmHg @ 25 °C |
| Flash Point TCC Value | 97.78 °C TCC |
| logP (o/w) | 5.745 est |
| Solubility | |
| alcohol | Yes |
| water, 0.218 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| floral, bergamot, genet, herbal, tuberose, tropical, lily, plum, ylang, grape | |
| Odor strength | medium |
| Substantivity | 5 hour(s) at 100.00 % |
| Luebke, William tgsc, (2017) | At 100.00 %. floral bergamot genet herbal tuberose tropical lily plum ylang grape |
| Flavor Type: Fruity | |
| fruity, plum, tropical, grape, floral, lily, bergamot | |
| Luebke, William tgsc, (2017) | Fruity plum tropical grape floral lily bergamot ylang |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Bergamot , Floral , Fresh outdoors , Gardenia , Genet , Heather , Jasmin , Lily , Oriental , Tuberose , Ylang ylang |
| Other purposes | Erica , Fixer , Gorse , Tweed |
| 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 Food and Cosmetics Toxicology. Vol. 14, Pg. 461, 1976. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 461, 1976. | |
| 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 benzoate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 8.40 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 2.00 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.60000 | |
| beverages(nonalcoholic): | - | 0.31000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.42000 | |
| fruit ices: | - | 0.42000 | |
| gelatins / puddings: | - | 0.28000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.20000 | |
| 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): |
| Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):126-64-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :31353 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3,7-dimethylocta-1,6-dien-3-yl benzoate |
| Chemidplus:0000126647 |
| RTECS:DH3300000 for cas# 126-64-7 |