ETHYL HEPTYLATE
Ethyl heptanoate
CAS: 106-30-9
Molecular Formula: C9H18O2
ETHYL HEPTYLATE - Names and Identifiers
ETHYL HEPTYLATE - Physico-chemical Properties
| Molecular Formula | C9H18O2 |
| Molar Mass | 158.24 |
| Density | 0.87 g/mL at 25 °C (lit.) |
| Melting Point | -66 °C (lit.) |
| Boling Point | 188-189 °C (lit.) |
| Flash Point | 151°F |
| JECFA Number | 32 |
| Water Solubility | 126mg/L at 20℃ |
| Solubility | Insoluble in water |
| Vapor Presure | 4.27hPa at 20℃ |
| Appearance | neat |
| Color | Colorless to Almost colorless |
| Merck | 14,3835 |
| BRN | 1752311 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.412(lit.) |
| Physical and Chemical Properties | Character at room temperature for colorless transparent liquid, pineapple aroma. melting point -66.1 ℃ boiling point 187 ℃ relative density 0.8817 refractive index 1.4100 flash point 66 ℃ solubility, ether and other organic solvents, insoluble in water. |
| Use | Used as a food flavoring agent |
ETHYL HEPTYLATE - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 1993 / PGIII |
| WGK Germany | 1 |
| RTECS | MJ2087000 |
| TSCA | Yes |
| HS Code | 29159080 |
| Toxicity | LD50 orally in rats: >34640 mg/kg (Jenner) |
ETHYL HEPTYLATE - Upstream Downstream Industry
| Raw Materials | Heptanoic acid Ethyl Alcohol |
ETHYL HEPTYLATE - Nature
Open Data Verified Data
colorless transparent liquid with aroma similar to pineapple and wine. With ethanol, ether, chloroform and most non-volatile oil miscible, propylene glycol-soluble, insoluble in water and glycerol.
Last Update：2025-06-10 22:55:16
ETHYL HEPTYLATE - Preparation Method
Open Data Verified Data
obtained by direct esterification of heptanoic acid with ethanol, washing and fractionation.
Last Update：2025-06-07 19:20:19
ETHYL HEPTYLATE - Application
Open Data Verified Data
It is mainly used for apricot, cherry, pear, pineapple, grape, peach, raspberry, banana, cream, cheese and other food flavor and brandy, I is used as a head flavor in wine flavors such as rum, and is also used in fruit flavor, Gulong, Rose and other daily chemical flavors. In gum 340mg/kg; Baked food 24mg/kg; Candy 17 mg/kg, alcohol 8. 5~20mg/kg; 7.5mg/kg in cold drinks; Soft drinks 6. 8 mg/kg.
Last Update：2025-08-19 16:24:40
ETHYL HEPTYLATE - Reference Information
| FEMA | 2437 | ETHYL HEPTANOATE |
| LogP | 3.98 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| properties | colorless transparent liquid, miscible with alcohol, ether, chloroform, insoluble in water. |
| content analysis | precisely weigh about 1g of a sample, and perform the method 1 in the ester determination method (OT-18). The equivalence factor (e) in the calculation is taken as 79.12. |
| toxicity | ADI 0-2.5(FAO/WHO,1994). LD50>34.64g/kg (rat, oral). MNL 500mg/kg (rat). |
| usage limit | FEMA(mg/kg): Soft drink 6.8; Cold drink 7.5; Candy 17; Baked goods 24; pudding 0.06~350; Gum 340; Wine 8.5~20. Moderate limits (FDA § 172.515,2000). |
| Use | used as food flavoring agent used in organic synthesis and flavor preparation ethyl heptanoate is allowed to be used in China's "health standards for the use of food additives" food spices, it is mainly used for the preparation of strawberry, banana, grape, cherry, apricot, peach, cream, cheese and other flavor food flavor and wine flavor such as champagne, brandy, rum. The dosage of gum is 340mg/kg, 24mg/kg in baked food, 17mg/kg in candy, 8.5~20mg/kg in wine and 7.5mg/kg in cold drinks; 6.8mg/kg in soft drinks. GB 2760-96 provides for the permitted use of flavorants. Mainly used in the preparation of cherry, grape, cognac, cheese, blueberry and berry flavor. ethyl heptanoate has the aroma of pineapple and can be used as flower flavor, fruit flavor, tobacco and alcohol flavor. It can also be used in organic synthesis. organic synthesis. Solvents, spices, for the wine industry. |
| production method | esterification of heptanoic acid with ethanol can give a finished product having an ester content of 98% or more. A mixed acid composed mainly of hexanoic acid and heptanoic acid is formed by the oxidation of secondary octanol through nitric acid, which is fractionated to obtain heptanoic acid, esterified with ethanol in the presence of sulfuric acid, then washed with water and fractionated. The product was obtained by direct esterification of heptanoic acid with ethanol and fractionation of the reaction mixture after washing with water. CH3(CH2)5COOH+CH3CH2OH[H2SO4]→CH3(CH2)5COOCH2CH3+H2O |
Last Update：2024-04-09 19:05:07
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Raw Materials for ETHYL HEPTYLATE