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benzyl isobutyrate
General Material Information
| Preferred name | benzyl isobutyrate |
| Trivial Name | Benzyl isobutyrate |
| Short Description | phenylmethyl isobutyrate |
| Formula | C11 H14 O2 |
| CAS Number | 103-28-6 |
| FEMA Number | 2141 |
| Flavis Number | 9.426 |
| ECHA Number | 203-095-9 |
| FDA UNII | P98PE45V9M |
| Nikkaji Number | J36.998E |
| Beilstein Number | 1869299 |
| MDL | MFCD00048315 |
| COE Number | 301 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 844 benzyl isobutyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 103-28-6 ; BENZYL ISOBUTYRATE |
| 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): | HMDB31250 |
| FooDB: | FDB003280 |
| Export Tariff Code: | 2915.60.1000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 178.23098754883 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.321 to 8.371 |
| Refractive Index | 1.488 to 1.492 @ 20 °C |
| Boiling Point | 229 to 230°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.051 mmHg @ 25 °C |
| Vapor Density | 6.1 |
| Flash Point TCC Value | 59 °C TCC |
| logP (o/w) | 2.861 est |
| Shelf life | 12 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| ethyl alcohol, 1:6 in 70% alcohol | Yes |
| fixed oils | Yes |
| paraffin oil | Yes |
| water, 157.2 mg/L @ 25 °C (est) | Yes |
| water | No |
| glycerin | No |
| Stability | |
| non-discoloring in most media | Unspecified |
| store under normal conditions | Unspecified |
| very stable | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| jasmin, oily, fruity, sweet, rose, tropical, powdery, woody, juicy | |
| Odor strength | medium |
| Substantivity | 12 hour(s) at 100.00 % |
| Luebke, William tgsc, (1989) | At 100.00 %. jasmin oily fruity sweet rose tropical |
| Mosciano, Gerard P&F 18, No. 6, 33, (1993) | Sweet, fruity, powdery with tropical woody and juicy nuances |
| Flavor Type: Fruity | |
| fruity, sweet, berry, berry ripe berry | |
| Mosciano, Gerard P&F 18, No. 6, 33, (1993) | At 10.00 ppm. Fruity and sweet with ripe berry nuances |
| General comment | Aromatic, fruity and sweet with ripe berry nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Almond , Apple blossom , Baby powder , Balsam , Banana , Bayberry , Blackberry , Bouquet , Carnation , Cherry blossom , Citrus , Coconut , Cranberry , Currant , Fig , Fir balsam , Floral , Gardenia , Grapefruit , Herbal , Hyacinth , Jasmin , Juniper berry , Lavender , Lilac , Mint , Narcissus , Neroli , Opoponax , Orchid , Peach , Pina colada , Pineapple , Plum , Raspberry , Rose , Rose white rose , Spice , Strawberry , Sweet pea , Tea green tea , Vanilla , Verbena , Woody |
| Flavoring purposes | Beer , Chocolate cocoa |
| 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 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) | |
| Flammable liquids (Category 3), H226 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H226 - Flammable liquid and vapour | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233 - Keep container tightly closed. P240 - Ground/bond container and receiving equipment. P241 - Use explosion-proof electrical/ventilating/lighting/…/equipment. P242 - Use only non-sparking tools. P243 - Take precautionary measures against static discharge. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P303 + P361 + P353 - IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 [sex: M,F] 2850 mg/kg (Owen, 1971) oral-rat LD50 2850 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 1023, 1973. | |
| 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 benzyl isobutyrate usage levels up to: | |||
| 6.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 13.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 21.00 (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: | - | 25.00000 | |
| beverages(nonalcoholic): | - | 5.20000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 12.00000 | |
| fruit ices: | - | 12.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 12.00000 | |
| 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 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 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 |
| 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 |
| 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):103-28-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7646 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:1 |
| benzyl 2-methylpropanoate |
| Chemidplus:0000103286 |
| RTECS:NQ4550000 for cas# 103-28-6 |