Name | Ethyl n-Valerate |
Synonyms | FEMA 2462 Ethyl valerate Athylvalerianat ETHYL PENTANOATE Ethyl n-Valerate ETHYL N-VALERATE Ethyl pentanoate Ethyl valerianate RARECHEM AL BI 0163 VALERIC ACID ETHYL ESTER N-VALERIC ACID ETHYL ESTER PENTANOIC ACID ETHYL ESTER |
CAS | 539-82-2 |
EINECS | 208-726-1 |
InChI | InChI=1/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3 |
Molecular Formula | C7H14O2 |
Molar Mass | 130.18 |
Density | 0.875 g/mL at 25 °C (lit.) |
Melting Point | -92--90°C |
Boling Point | 144-145 °C (lit.) |
Flash Point | 102°F |
JECFA Number | 30 |
Water Solubility | 2.226g/L(temperature not stated) |
Solubility | 2.23g/l |
Vapor Presure | 3-27.3hPa at 20-50℃ |
Appearance | Liquid |
Color | Clear colorless |
Merck | 14,9904 |
BRN | 1744680 |
Storage Condition | Store below +30°C. |
Explosive Limit | 1%(V) |
Refractive Index | n20/D 1.401(lit.) |
Physical and Chemical Properties | A colorless liquid with apple aroma. melting point -91.2 ℃ boiling point 145.5 ℃ relative density 0.8770g/cm3 solubility insoluble in water, soluble in ethanol. |
Use | Used as food flavoring agent, used in cosmetics, food flavor, artificial marmales, medicine, etc |
Risk Codes | 10 - Flammable |
Safety Description | 16 - Keep away from sources of ignition. |
UN IDs | UN 3272 3/PG 3 |
WGK Germany | 3 |
TSCA | Yes |
HS Code | 29156090 |
Hazard Class | 3 |
Packing Group | III |
Raw Materials | Ethyl Alcohol N-Valeric Acid |
FEMA | 2462 | ETHYL VALERATE |
olfactory threshold (Odor Threshold) | 0.00011ppm |
LogP | 2.3 at 22℃ and pH7 |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
content analysis | determined by non-polar column method in gas chromatography (GT-10-4). |
toxicity | can be safely used in food (FDA, 172.515,2000). |
usage limit | FEMA(mg/kg): soft drink 4.2; Cold drink 4.4; Jelly and pudding 5.5; Baked food 8.3; Candy 15; Gum candy 260. |
use | used as food flavoring agent, used in cosmetics, edible essence, artificial fruit sauce, medicine, etc. GB 2760-1996 regulations are allowed to use Food spices. Used in strawberry, apple, jackfruit and other flavors. Used as a chromatographic analysis reagent and solvent, and also used in organic synthesis |
production method | is made by heating reflux esterification of valeric acid and ethanol in the presence of concentrated sulfuric acid. It is obtained by co-thermal esterification and distillation of sodium valerate and ethanol in the presence of sulfuric acid or hydrogen chloride. |