Octanoic acid ethyl
Ethyl caprylate
CAS: 106-32-1
Molecular Formula: C10H20O2
Octanoic acid ethyl - Names and Identifiers
| Name | Ethyl caprylate |
| Synonyms | Ethyl Octlate Ethyloctanoat Ethyl Octylate Ethyl caprylate Ethyl octanoate Ethyl carprylate Octanoic acid ethyl ETHYL CAPRYLATE, NATURAL Octanoic acid ethyl ester n-Caprylic Acid Ethyl Ester Ethyl caprylate, synthesis grade CAPRYLIC ACID ETHYLESTER WITH GC |
| CAS | 106-32-1 |
| EINECS | 203-385-5 |
| InChI | InChI=1/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3 |
Octanoic acid ethyl - Physico-chemical Properties
| Molecular Formula | C10H20O2 |
| Molar Mass | 172.26 |
| Density | 0.867 g/mL at 20 °C (lit.) |
| Melting Point | -48--47 °C (lit.) |
| Boling Point | 206-208 °C (lit.) |
| Flash Point | 167°F |
| JECFA Number | 33 |
| Water Solubility | insoluble |
| Solubility | Insoluble in water, glycerin, slightly soluble in propylene glycol, soluble in ethanol, ether, chloroform. |
| Vapor Presure | 0.02 mm Hg ( 25 °C) |
| Appearance | Transparent, colorless liquid |
| Color | Clear colorless |
| Merck | 14,3778 |
| BRN | 1754470 |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 0.7%(V) |
| Refractive Index | n20/D 1.417(lit.) |
| MDL | MFCD00009552 |
| Physical and Chemical Properties | Character: colorless transparent liquid. It has an aroma similar to that of cognac and has a sweet taste. melting point -43.1 ℃ boiling point 207~209 ℃ relative density 0.8693 refractive index 1.4178 flash point 75 ℃ solubility, ether, chloroform, almost insoluble in propylene glycol, insoluble in water. |
| Use | Used as a food flavoring agent |
Octanoic acid ethyl - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 38 - Irritating to the skin |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 2 |
| RTECS | RH0680000 |
| TSCA | Yes |
| HS Code | 29159080 |
| Toxicity | LD50 orally in rats: 25,960 mg/kg, P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964) |
Octanoic acid ethyl - Upstream Downstream Industry
| Raw Materials | Octanoic acid Ethyl Alcohol |
Octanoic acid ethyl - Reference
| Reference Show more | 1. Hou Lijuan, Yan Chao, Zhao Huan, et al. Headspace Solid Phase Microextraction-Gas Chromatography-Mass Spectrometry-Smell Technology Analysis of Main Aroma Components of Jujube Brandy [J]. Chinese Journal of Food Science, 2018, 018(008):232-238. 2. [IF = 4.35] Tian Lan et al."Analysis of the Aroma Chemical Composition of Commonly Planted Kiwifruit Cultivars in China." Foods. 2021 Jul;10(7):1645 |
Octanoic acid ethyl - Introduction
It has pineapple fragrance. It is miscible with ethanol and ether, insoluble in water and glycerin. Median lethal dose (rat, oral) 25960mg/kg. It's irritating.
Last Update：2022-10-16 17:11:46
Octanoic acid ethyl - Reference Information
| FEMA | 2449 | ETHYL OCTANOATE |
| LogP | 4.47 at 22.7℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | ethyl octoate is colorless and transparent liquid, occasionally slightly yellow, with pineapple-like fragrance and sweet taste. Boiling point 208.5 ℃. Insoluble in water, but easily soluble in ethanol, ether, chloroform, almost insoluble in propylene glycol. It forms an azeotropic mixture with water, and the content is 18% at the azeotropic point of 98.25 ℃. It is made of caprylic acid and ethanol, catalyzed by a small amount of concentrated sulfuric acid, and heated. It can be used as a flavoring agent for orange, strawberry, pineapple and other spices. |
| application | sucrose ester fatty acid as a sucrose derivative is a safe, non-toxic, odorless and pollution-free with excellent performance. Polyol nonionic surfactant with no side effects, no stimulation, good stability and complete biodegradation. It can effectively reduce the surface tension of water, and has excellent performance in wetting force, dispersion force, solubilization, foaming force, emulsification force, detergency force, etc. At the same time, it also has insecticidal and antibacterial properties. Therefore, it has strong adaptability and wide application range. At present, it has been widely used in food industry, daily chemical industry, pharmaceutical industry, textile, agriculture and animal husbandry and other fields, especially as emulsifier, dispersant, foaming agent, wetting agent and cleaning agent in food industry. Cosmetics and detergents in daily chemical industry, etc. |
| content analysis | accurately weigh about 1.1g of sample and quantify it according to method 2 in ester content determination method (OT-18). The equivalent factor (e) in its calculation is 86.13. It should be determined by non-polar column method in GT-10-4. |
| toxicity | LD5025960mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drink 4.1; Cold drink 2.4; Candy 9.0; Baked food 11; Pudding 0.10~2.7; Gum candy 4.0~60. Moderate limit (FDA § 172.515,2000). |
| Use | Used as food flavoring agent GB 2760-96 specifies as allowed edible spices. Mainly used to prepare milk, cheese, apple and pineapple wine, brandy, rum and other flavors. It is rarely used in daily cosmetic flavors, but it can be used in moderation in the new flavor that requires fruity and bouquet. It can be used in large quantities for edible flavors, such as apricots, apples, oranges, grapes, nuts, raw pears, pineapples, bananas, strawberries, brandy, rum, etc. This product has a white and half fragrance aroma, which is used to prepare edible essence. Used for perfume preparation organic synthesis. Prepare spices. |
| production method | is obtained by esterification of caprylic acid and ethanol. Add caprylic acid, ethanol and a small amount of concentrated sulfuric acid to the reaction pot, heat and reflux for several hours, then neutralize with sodium hydroxide solution, and then distill. It is obtained by heating and esterification of ethanol and caprylic acid under sulfuric acid catalysis and distillation. |
| spontaneous combustion temperature | 325°C |
Last Update：2024-04-09 15:16:46
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Raw Materials for Octanoic acid ethyl