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isobutyl salicylate
General Material Information
| Preferred name | isobutyl salicylate |
| Trivial Name | Isobutyl salicylate |
| Short Description | salicylic acid, isobutyl ester |
| Formula | C11 H14 O3 |
| CAS Number | 87-19-4 |
| FEMA Number | 2213 |
| ECHA Number | 201-729-9 |
| FDA UNII | S122C080GX |
| Nikkaji Number | J36.460F |
| Beilstein Number | 2615955 |
| MDL | MFCD00020035 |
| COE Number | 434 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 902 isobutyl salicylate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 87-19-4 ; ISOBUTYL SALICYLATE |
| 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): | HMDB36432 |
| FooDB: | FDB015319 |
| Export Tariff Code: | 2918.23.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 194.23017883301 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.621 to 8.87 |
| Refractive Index | 1.508 to 1.51 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.006 mmHg @ 25 °C |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 4 |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| water, 67.83 mg/L @ 25 °C (est) | Yes |
| glycerin | No |
| Stability | |
| non-discoloring in most media | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| clover, herbal, orchid, floral, sweet, spicy, cooling, wintergreen | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 48 hour(s) at 100.00 % |
| Luebke, William tgsc, (1989) | At 10.00 % in dipropylene glycol. clover herbal orchid floral |
| Mosciano, Gerard P&F 17, No. 4, 33, (1992) | Sweet, spice, cooling, with a wintergreen nuance |
| Flavor Type: Cooling | |
| sweet, cooling, spicy, fruity | |
| Mosciano, Gerard P&F 17, No. 4, 33, (1992) | At 3.00 ppm. Sweet, cooling, spicy with fruity nuances |
| General comment | Sweet cooling spicy fruity |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Ambrosia , Anise , Balsam , Blackberry , Camellia , Carnation , Cherry , Clary sage oil replacer , Clover , Currant , Fern , Leather , Mulberry , Orchid , Oriental , Peach , Poppy red poppy , Raspberry , Root beer , Strawberry , Tuberose , Valerian , Wallflower , Wintergreen |
| Flavoring purposes | Valerian |
| Other purposes | Aimant , Modifier , Presence |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 4), H302 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P330 - Rinse mouth. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 10 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 1560 mg/kg (Moreno, 1973aa) oral-mouse LD50 5100 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 813, 1975. oral-mouse LD50 5100 mg/kg Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994. oral-rat LD50 1560 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 813, 1975. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 813, 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 | |||
| maximum skin levels for fine fragrances: | |||
| 0.8100 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).(IFRA, 2002) | |||
| Recommendation for isobutyl salicylate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 0.1680 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0043 mg/kg/day (IFRA, 2002) | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.97 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 6.00 (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: | - | 5.00000 | |
| beverages(nonalcoholic): | - | 3.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.80000 | |
| fruit ices: | - | 1.80000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.60000 | |
| 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) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23 View page or View pdf |
| Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted 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) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):87-19-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6873 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2-methylpropyl 2-hydroxybenzoate |
| Chemidplus:0000087194 |
| RTECS:VO4320000 for cas# 87-19-4 |