| 2D: |  |
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| 3D: | |
| CAS Number: | 66576-71-4 |
| ECHA EC Number: | 266-411-4 |
| FDA UNII: | 3429OS9G6T |
| Category: | flavor and fragrance agents |
| IUPAC Name: | isopropyl 2-methyl butyrate |
| InChI : | InChI=1/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3 |
| Std.InChI: | InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3 |
| InChIKey : | DIRDKDDFAMNBNY-UHFFFAOYAW |
| Std.InChIKey: | DIRDKDDFAMNBNY-UHFFFAOYSA-N |
| SMILES : | CCC(C)C(=O)OC(C)C |
| MDL: | MFCD00085203 |
| Molar Refractivity : | 40.80 ± 0.3 cm3 (est) |
| Parachor : | 369.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.409 ± 0.02 (est) |
| Surface Tension : | 25.3 ± 3.0 dyne/cm (est) |
| Density : | 0.874 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.17 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 210 isopropyl 2-methylbutyrate |
| DG SANTE Food Flavourings: | 09.547 isopropyl 2-methylbutyrate |
| FEMA Number: | 3699 isopropyl 2-methylbutyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 66576-71-4 ; ISOPROPYL 2-METHYLBUTYRATE |
| None found |
| Augustus Oils |
| Iso Propyl 2 Methyl Butyrate |
| Services |
| Berjé |
| iso Propyl 2-Methyl Butyrate |
| Media |
| BOC Sciences |
| For experimental / research use only. |
| isoPropyl 2-methylbutyrate |
| Ernesto Ventós |
| IsoPROPYL 2-METHYLBUTYRATE Odor: DIFFUSIVE,FRESH,MINTY,FRUITY |
| Givaudan |
| Isopropyl Methyl-2-Butyrate Odor: Fruity, Pear, Pineapple, Green, Fresh, Diffusive Use: Isopropyl Methyl-2-Butyrate is used for green-fruity accords like pear and apple. It provides significant freshness to perfumes in combination with floral elements. |
| Global Essence |
| isoPropyl Methyl-2-Butyrate |
| Grau Aromatics |
| iso-PROPYL-2-METHYLBUTYRATE NI, Kosher |
| Indukern F&F |
| ISOPROPYL 2-METHYLBUTYRATE Odor: FRESH, FRUITY, SWEET, STRAWBERRY |
| Inoue Perfumery |
| isoPROPYL 2-METHYL BUTYRATE |
| Keva |
| ISOPROPYL 2 METHYL BUTYRATE |
| Lluch Essence |
| ISOPROPYL 2-METHYL BUTYRATE |
| Miltitz Aromatics |
| isoPROPYL 2-METHYLBUTYRATE min. 98,5 % Odor: Very diffusive, fresh-minty, fruity Use: This ester is used in perfumery compositions for green fruity bases. Flavor: Sweet-fruity, with pineapple and citrus nuances In flavors it enhances the natural impression in pineapple, apple, strawberry, citrus, berry and tropical compositions. |
| Moellhausen |
| isoPROPYL 2-METHYL BUTYRATE Odor: fresh fruity, strawberry connotations, somewhat camphoraceous |
| Pell Wall Perfumes |
| Isopropyl Methyl 2 Butyrate |
| Penta International |
| ISOPROPYL 2-METHYLBUTYRATE |
| Reincke & Fichtner |
| isoPropyl 2-methylbutyrate |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| isoPropyl 2-methylbutyrate |
| Sigma-Aldrich |
| Isopropyl 2-methylbutyrate, ≥98% Odor: oily; pineapple; sweet; ethereal; green |
| Certified Food Grade Products |
| SRS Aromatics |
| ISO PROPYL-2-METHYL BUTYRATE |
| Synerzine |
| isoPropyl 2-methylbutyrate |
| Taytonn ASCC |
| isoPropyl 2-methylbutyrate Odor: Fruity, Green, Sweet, Tropical |
| TCI AMERICA |
| For experimental / research use only. |
| isoPropyl 2-methylbutyrate >98.0%(GC) |
| The Perfumers Apprentice |
| isoPropyl Methyl-2-butyrate Odor: Fruity, Pear like, Pineapple, Green, Fresh, Diffusive Use: used for green-fruity accords like pear and apple. It provides significant freshness to perfumes in combination with floral elements. |
| Vigon International |
| Isopropyl 2-Methyl Butyrate Odor: Fruity, Pear, Pineapple, Green, Fresh, Diffusive |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 isopropyl 2-methyl butyrate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 10.00000 | |
| beverages(nonalcoholic): | - | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | 10.00000 | |
| cheese: | - | - | |
| chewing gum: | - | 20.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 10.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 10.00000 | |
| fruit ices: | - | 15.00000 | |
| gelatins / puddings: | - | 10.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 15.00000 | |
| imitation dairy: | - | 10.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 5.00000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | 1.00000 | |
| snack foods: | - | 20.00000 | |
| soft candy: | - | 15.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | 5.00000 | |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):66576-71-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :522214 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:3 |
| propan-2-yl 2-methylbutanoate |
| Chemidplus:0066576714 |
| propan-2-yl 2-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 66576-71-4 |
| Pubchem (cid): | 522214 |
| Pubchem (sid): | 135267815 |
| (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): | HMDB39217 |
| FooDB: | FDB018749 |
| Export Tariff Code: | 2915.90.5050 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FR | apple |
| FR | berry |
| FR | citrus |
| FL | fruit tropical fruit |
| FR | green |
| FR | pear |
| FR | pineapple |
| FR | strawberry |
| FL/FR | valerian |
| butanoic acid, 2-methyl-, 1-methylethyl ester | |
| butyric acid, 2-methyl-, 1-methylethyl ester | |
| 1- | methyl ethyl 2-methyl butanoate |
| 1- | methylethyl 2-methylbutanoate |
| propan-2-yl 2-methylbutanoate | |
| iso | propyl 2 methyl butyrate |
| iso | propyl 2-methyl butanoate |
| iso | propyl 2-methylbutanoate |
| iso | propyl 2-methylbutyrate |
| iso | propyl methyl-2-butyrate |
| iso- | propyl-2-methylbutyrate |
| strawberry butyrate |
| None found yet. Try the PubMed Search. |
