| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 590-01-2 |
| ECHA EC Number: | 209-669-5 |
| FDA UNII: | 2NXC4AK99E |
| CoE Number: | 405 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | butyl propionate |
| InChI : | InChI=1/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3 |
| Std.InChI: | InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3 |
| InChIKey : | BTMVHUNTONAYDX-UHFFFAOYAE |
| Std.InChIKey: | BTMVHUNTONAYDX-UHFFFAOYSA-N |
| SMILES : | CCCCOC(=O)CC |
| MDL: | MFCD00009448 |
| Molar Refractivity : | 36.25 ± 0.3 cm3 (est) |
| Parachor : | 335.3 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.406 ± 0.02 (est) |
| Surface Tension : | 26.6 ± 3.0 dyne/cm (est) |
| Density : | 0.882 ± 0.06 g/cm3 (est) |
| Polarizability : | 14.37 ± 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: | 143 butyl propionate |
| DG SANTE Food Flavourings: | 09.124 butyl propionate |
| FEMA Number: | 2211 butyl propionate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 590-01-2 ; BUTYL 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. | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| 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 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) | |
| 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. 18, Pg. 661, 1980. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 14000 mg/kg Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 192, 1992. | |
| 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 butyl propionate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 10.00 (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: | - | 27.00000 | |
| beverages(nonalcoholic): | - | 4.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.20000 | |
| fruit ices: | - | 5.20000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 25.00000 | |
| 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): |
| Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (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 |
| EPI System: View |
| NIOSH International Chemical Safety Cards:search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):590-01-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :11529 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1914 |
| WGK Germany:1 |
| butyl propanoate |
| Chemidplus:0000590012 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:590-01-2 |
| butyl propanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 590-01-2 |
| Pubchem (cid): | 11529 |
| Pubchem (sid): | 134976733 |
| 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 |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB30052 |
| FooDB: | FDB001358 |
| Export Tariff Code: | 2915.50.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| apple fruit Search PMC Picture | |
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| butyl propanoate | |
| N- | butyl propanoate |
| N- | butyl propionate |
| nat. | butyl propionate |
| butyl propionate natural | |
| butyl propionate, natural | |
| butyl-propionate | |
| butylpropionate | |
| propanoic acid butyl ester | |
| propanoic acid, butyl ester | |
| propionic acid butyl ester | |
| propionic acid N-butyl ester | |
| propionic acid, butyl ester |
| None found yet. Try the PubMed Search. |
