HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl Propionate
ETHYL PROPANOATE · PROPANOIC ACID ETHYL ESTER · Ethyl n-propanoate · FEMA 2456 · ETHYLPROPIONAT · PROPIONIC ETHER · Ethyl n-propionate · C2H5COOC2H5
Identifiers & Physical Properties
| CAS No. | 105-37-3 |
|---|---|
| Molecular formula | C5H10O2 |
| Average molar mass | 102.13 g/mol |
| Monoisotopic mass | 102.06807956 g/mol |
| SMILES | CCOC(=O)CC |
| InChIKey | FKRCODPIKNYEAC-UHFFFAOYSA-N |
| PubChem CID | 7749 |
| ChEMBL | CHEMBL44115 |
| ChEBI | CHEBI:41330 |
| EC No. | 203-291-4 |
| DTXSID | DTXSID1040110 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 59.1 |
| Chemical classes | Flammable agents - 3rd degree |
| Lipids | Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710] |
| Solvents | Solvents -> Esters (<C12) |
| SpringerMaterials Properties | Boiling point |
| Fragrances | Fragrance Ingredient (Ethyl propionate) -> IFRA transparency List |
| LogP (partition coefficient) | log Kow= 1.21 |
| Odor | REMINISCENT OF RUM & PINEAPPLEFruity odorOdor of pineappleButter- or rum-likeat 10.00 % in dipropylene glycol. sweet fruity rum juicy fruit grape pineapple |
| Food additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Density | 0.891 (USCG, 1999) - Less dense than waterwill float0.8917 @ 20 °C/4 °C0.886-0.8890.891 @ 20°C0.888 g/mL at 25 °C (lit.) |
| Flavoring agents | EU Flavoring substances |
| Color/Form | Colorless liquidWater-white liquid |
| Solubility | SOLUBLE IN MOST ORGANIC SOLVENTSSoluble in alcohol and etherMiscible in ethanol and ethyl ethersoluble in acetoneIn water, 19,200 mg/l @ 25 °C19.2 mg/mL at 20 °CSoluble in most fixed oils and propylene glycol, soluble in water (1ml in 42ml)2% soluble in water. miscible with alcohol, perfume and flavor oils.25 g/L (15 ºC) |
| Melting point | -73 °C (lit.) |
| Boiling point | 99 °C (lit.) |
| Vapor density | 3.52 (vs air) |
| Vapor pressure | 40 mm Hg ( 27.2 °C) |
| Refractive index | n20/D 1.384(lit.) |
| FEMA | 2456 | ETHYL PROPIONATE |
| FLAVIS Number | 09.121 | Ethyl propionate |
| Flash point | 54 °F |
| Storage conditions | Flammables area |
| Physical state | Liquid |
| Color | Clear colorless to pale yellow |
| pH | 7 (H2O, 20℃) |
| Explosive limits | 1.8-11%(V) |
| Odor type | fruity |
| Odor threshold | 0.007ppm |
| Biological source | synthetic |
| Thermal conductivity | 0.121 W/(m·K) at 0 ℃ |
| JECFA Number | 28 |
| Merck | 14,3847 |
| BRN | 506287 |
| Henry's law constant | 3.8×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielectric constant | 5.7(20℃) |
| Major applications | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3 |
| InChIKey | FKRCODPIKNYEAC-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CC |
| LogP (partition coefficient) | 1.31 at 22.1℃ |
| CAS DataBase Reference | 105-37-3(CAS DataBase Reference) |
| Substances Added to Food (formerly EAFUS) | ETHYL PROPIONATE |
| FDA 21 CFR | 172.515 |
| EWG's Food Scores | 1 |
| FDA UNII | AT9K8FY49U |
| NIST Chemistry Reference | Propanoic acid, ethyl ester(105-37-3) |
| EPA Substance Registry System | Ethyl propionate (105-37-3) |
| UNSPSC Code | 85151701 |
| NACRES | NA.24 |
| GHS pictogram | GHS02 |
| Signal word | Danger |
| GHS hazard statements | H225 |
| GHS precautionary statements | P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | F |
| Risk statements (R) | 11 |
| Safety statements (S) | 16-23-24-29-33 |
| UN transport number | UN 1195 |
| Water hazard class (WGK) | 1 |
| RTECS number | UF3675000 |
| Autoignition temperature | 887 °F |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Packing group | II |
| Customs code | 29159000 |
| Storage class | 3 - Flammable liquids |
| Hazardous substances data | 105-37-3(Hazardous Substances Data) |
| REACH registrations | Active |
| Limited quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)H225 (> 99.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatory information | Chemical: Propanoic acid, ethyl esterStatus: Active Update: 25-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23287Propanoic acid, ethyl ester: HSNO Approval: HSR001254 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Other safety information | IMAP assessments - Propanoic acid, ethyl ester: Human health tier I assessment |
| DOT label | Flammable Liquid |
| Fire hazards | Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| Fire potential | A flammable liquid. A very dangerous fire and explosion hazard when exposed to heat or flame ... |
| Health hazards | Exposure can cause irritation of eyes, nose and throat. May cause shortness of breath or coughing. High concentrations have a narcotic effect. May cause abdominal pain and vomiting if swallowed. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
| Hazards summary | Flammable liquid[Hawley] Irritating to skin and eyes[HSDB] Highly flammableAn eye, nose, and throat irritantInhalation of high concentrations can cause CNS depression |
Applications & Uses
Description
Ethyl propionate is a carboxylic acid ester compound containing ester group functionalities. Due to its distinctive fruity flavour, Ethyl propionate is widely used as a food flavouring and as a fragrance in cosmetics. However, it is flammable and hazardous to humans and may damage the liver and kidneys, and high exposures can cause drowsiness and sleepiness. High exposures may affect the heart and it has been added to the list of special health hazards.
Occurrence
Reported found in several types of wine, in white grape var. Sauvignon, cocoa, apple juice, orange juice, grapefruit juice, guava, melon, peach, pineapple, strawberry, tomato, various cheeses, beer, cognac, rum, whiskey, bourbon, malt whiskey, scotch, cider, brandy, kiwi fruit and mussels.
Uses
Ethyl Propionate is a flavoring agent that is a transparent liquid, colorless, with an odor resembling rum. it is miscible in alcohol and propylene glycol, soluble in fixed oils, mineral oil, and alcohol, and sparingly soluble in water. it is obtained by chemical synthesis.
General Description
Ethyl propionate[105-37-3] appears as a clear colorless liquid with a pineapple-like odor. Flash point 54 °F. Less dense than water and insoluble in water. Vapors are heavier than air.