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ethyl butyrate
General Material Information
| Preferred name | ethyl butyrate |
| Trivial Name | ethyl butanoate |
| Formula | C6 H12 O2 |
| CAS Number | 105-54-4 |
| FEMA Number | 2427 |
| ECHA Number | 203-306-4 |
| FDA UNII | UFD2LZ005D |
| Nikkaji Number | J3.235B |
| Beilstein Number | 0506331 |
| MDL | MFCD00009394 |
| COE Number | 264 |
| xLogP3-AA | 1.30 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 29 ethyl butyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 105-54-4 ; ETHYL BUTYRATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
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| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| ethyl butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 105-54-4 |
| Pubchem (cid): | 7762 |
| Pubchem (sid): | 134971165 |
| Flavornet: | 105-54-4 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB33889 |
| FooDB: | FDB012082 |
| YMDB (Yeast Metabolome Database): | YMDB01385 |
| Export Tariff Code: | 2915.60.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •grades or purity: commercial, 98+% •grades: technical | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 116.16004180908 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.273 to 7.339 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.289 to 7.356 |
| Refractive Index | 1.39 to 1.394 @ 20 °C |
| Melting Point | -101 to -93°C @ 760 mm Hg |
| Boiling Point | 120 to 121°C @ 760 mm Hg |
| Boiling Point | 47 to 48°C @ 50 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 12.8 mmHg @ 25 °C |
| Vapor Density | 4 |
| Flash Point TCC Value | 25 °C TCC |
| logP (o/w) | 1.804 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Refrigerate in tightly sealed containers. |
| Solubility | |
| fixed oils | Yes |
| kerosene | Yes |
| paraffin oil | Yes |
| propylene glycol | Yes |
| water, 4900 mg/L @ 20 °C (exp) | Yes |
| glycerin | No |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, juicy fruit, pineapple, cognac, sweet, tutti frutti | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 1.00 % in propylene glycol. fruity juicy fruit pineapple cognac |
| Mosciano, Gerard P&F 19, No. 4, 45, (1994) | Sweet, fruity, tutti frutti, lifting and diffusive |
| Flavor Type: Fruity | |
| fruity, sweet, tutti frutti, apple, fresh, ethereal | |
| Mosciano, Gerard P&F 19, No. 4, 45, (1994) | At 20.00 ppm. Fruity, sweet, tutti frutti, apple, fresh and lifting, ethereal |
| Useful in: dairy, vanilla, fruity citrus, fruity red, fruity yellow, fruity tropical, fruity others, sweet others, alcoholics. | Fruity, estery, sweet, rum-, strawberry-like |
| General comment | , orange, ananas, strawberry, mango, wine and beer |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apricot , Banana , Berry , Blueberry , Bubble gum , Butter , Butterscotch , Cherry , Currant , Floral , Fruit , Fruit juicy fruit , Gooseberry , Grape , Herbal , Honey , Kiwi , Lemon , Mango , Melon , Mulberry , Orange , Passion fruit , Peach , Pear , Pineapple , Plum , Plum mirabelle plum , Quince , Raspberry , Rose , Saffron , Strawberry , Valerian |
| Flavoring purposes | Caramel , Cheese cheddar cheese , Cheese swiss cheese , Dairy , Egg nog , Grenadine , Olive , Pistachio , Plum greengage plum , Valerian |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| 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) | |
| Flammable liquids (Category 3), H226 Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 | |
| GHS Label elements, including precautionary statements | |
| Signal word | Warning |
| Hazard statement(s) | |
| H226 - Flammable liquid and vapour H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation | |
| 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. P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P271 - Use only outdoors or in a well-ventilated area. 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. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P403 + P235 - Store in a well-ventilated place. Keep cool. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 5 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 13000 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-rabbit LD50 5228 mg/kg Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 2000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 719, 1974. | |
| 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 ethyl butyrate usage levels up to: | |||
| 8.0000 % 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 93.00000 | |
| beverages(nonalcoholic): | - | 28.00000 | |
| chewing gum: | - | 1400.00000 | |
| frozen dairy: | - | 44.00000 | |
| fruit ices: | - | 44.00000 | |
| gelatins / puddings: | - | 54.00000 | |
| hard candy: | - | 98.00000 | |
Safety references
| 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 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf |
| Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - 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 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf |
| Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):105-54-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7762 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1180 |
| WGK Germany:1 |
| ethyl butanoate |
| Chemidplus:0000105544 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:ET1660000 for cas# 105-54-4 |