| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 637-78-5 |
| ECHA EC Number: | 211-300-8 |
| FDA UNII: | NGB0AK08T9 |
| CoE Number: | 404 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | isopropyl propionate |
| InChI : | InChI=1/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3 |
| Std.InChI: | InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3 |
| InChIKey : | IJMWOMHMDSDKGK-UHFFFAOYAJ |
| Std.InChIKey: | IJMWOMHMDSDKGK-UHFFFAOYSA-N |
| SMILES : | CCC(=O)OC(C)C |
| MDL: | MFCD00051553 |
| Molar Refractivity : | 31.57 ± 0.3 cm3 (est) |
| Parachor : | 292.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.395 ± 0.02 (est) |
| Surface Tension : | 24.6 ± 3.0 dyne/cm (est) |
| Density : | 0.883 ± 0.06 g/cm3 (est) |
| Polarizability : | 12.51 ± 0.5 10-24cm3 (est) |
| 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: | 306 isopropyl propionate |
| DG SANTE Food Flavourings: | 09.123 isopropyl propionate |
| FEMA Number: | 2959 isopropyl propionate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 637-78-5 ; ISOPROPYL PROPIONATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| None found |
| Grau Aromatics |
| iso-PROPYL-PROPIONATE NI, Kosher |
| Inoue Perfumery |
| isoPROPYL PROPIONATE |
| Penta International |
| ISOPROPYL PROPIONATE |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| isoPropyl Propionate |
| SRS Aromatics |
| ISO PROPYL PROPIONATE |
| Synerzine |
| isoPropyl Propionate |
| TCI AMERICA |
| For experimental / research use only. |
| isoPropyl Propionate >99.0%(GC) |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 20 - Harmful by inhalation. 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 33 - Take precautionary measures against static discharge. S 37/39 - Wear suitable gloves and eye/face protection. | |
| 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 propionate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (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: | 30.00000 | 50.00000 | |
| beverages(nonalcoholic): | - | 9.70000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 5.00000 | 50.00000 | |
| fruit ices: | 5.00000 | 50.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 40.00000 | 50.00000 | |
| 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: | - | - | |
| 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 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf |
| Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):637-78-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12508 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2409 |
| WGK Germany:1 |
| propan-2-yl propanoate |
| Chemidplus:0000637785 |
| EPA/NOAA CAMEO:hazardous materials |
| propan-2-yl propanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 637-78-5 |
| Pubchem (cid): | 12508 |
| Pubchem (sid): | 134978525 |
| Pherobase: | View |
| (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): | HMDB30056 |
| FooDB: | FDB001363 |
| Export Tariff Code: | 2915.50.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FR | banana |
| FR | berry |
| FR | bubble gum |
| FR | currant |
| FR | pineapple |
| FR | plum |
| FR | raspberry |
| FR | strawberry |
| FR | woodruff |
| 1- | methyl ethyl propanoate |
| methylethyl propanoate | |
| 1- | methylethyl propanoate |
| propan-2-yl propanoate | |
| propan-2-ylpropanoat | |
| propanoic acid 1-methyl ethyl ester | |
| propanoic acid 1-methylethyl ester | |
| propanoic acid, 1-methylethyl ester | |
| propionic acid isopropyl ester | |
| iso | propyl propanoate |
| None found yet. Try the PubMed Search. |
