123-29-5
ethyl nonanoate
CAS: 123-29-5
Molecular Formula: C11H22O2
123-29-5 - Names and Identifiers
| Name | ethyl nonanoate |
| Synonyms | Wine ether Ethyl nonylate ethyl nonanoate PELARGONIC ETHER Ethyl n-nonanoate Ethyl-n-nonanoate Ethyl pelargonate RARECHEM AL BI 0167 NONYLIC ACID ETHYL ESTER NONANOIC ACID ETHYL ESTER PELARGONIC ACID ETHYL ESTER |
| CAS | 123-29-5 |
| EINECS | 204-615-7 |
| InChI | InChI=1/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3 |
123-29-5 - Physico-chemical Properties
| Molecular Formula | C11H22O2 |
| Molar Mass | 186.29 |
| Density | 0.866 g/mL at 25 °C (lit.) |
| Melting Point | -44°C |
| Boling Point | 119 °C/23 mmHg (lit.) |
| Flash Point | 202°F |
| JECFA Number | 34 |
| Water Solubility | 29.53mg/L(temperature not stated) |
| Solubility | H2O: insoluble |
| Vapor Presure | 0.08 mm Hg ( 25 °C) |
| Appearance | Transparent liquid |
| Color | Colourless |
| Merck | 14,3838 |
| BRN | 1759169 |
| Storage Condition | Store below +30°C. |
| Refractive Index | n20/D 1.422(lit.) |
| MDL | MFCD00009570 |
| Physical and Chemical Properties | Colorless transparent liquid with the aroma of oil, fruit and brandy. Boiling point 229 °c, melting point -44.5 °c, flash point 85 °c. Miscible in ethanol and propylene glycol, a few insoluble in water, but soluble in water and ether mixture. 1 ml is soluble in 10mL 70% ethanol. Natural products are found in pineapple, bananas, apples, etc. |
123-29-5 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and 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 | RA6845000 |
| TSCA | Yes |
| HS Code | 28459010 |
| Toxicity | LD50 orally in rats: >43,000 mg/kg (Jenner) |
123-29-5 - Reference
| Reference Show more | 1. Hou Lijuan, Yan Chao, Zhao Huan, et al. Headspace solid phase microextraction-gas chromatography-mass spectrometry-sniffing technology analysis of main aroma components of red jujube brandy [J]. Chinese Journal of Food Science, 2018, 018(008):232-238. |
123-29-5 - Reference Information
| FEMA | 2447 | ETHYL NONANOATE |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | ethyl nonanoate is a colorless, transparent liquid with strong grape fragrance. Relative density 0.8799(15°C). Boiling point 213-214°C(100.9kPa). 1.4214 refractive index (20°C). Insoluble in water, soluble in ethanol, ether, acetone. It can be used for edible essence. |
| Preparation | Ethyl nonanoate can be obtained by the reaction of nonanoic acid and ethanol under sulfuric acid catalysis, and the finished product is obtained by neutralization, water washing and distillation. |
| flavors and fragrances | ethyl nonanoate is also known as ethyl hydrangea. It is naturally found in pineapples, bananas and apples. It has a rose aroma, as well as a fruity and wine aroma. The appearance is colorless and transparent liquid. Molecular weight 186.30. Freezing point -44 ℃. Boiling point 220 ℃. Relative density 0.866 (18/4 ℃). 1.4219 refractive index. Flash point 94 ℃. Soluble in alcohol and ether, insoluble in water. It has a grape aroma and is often used to prepare edible flavors and spices for wine and whisky. It can also be used as a tonic for floral flavors. It is obtained by esterification of nonanoic acid and ethanol in the presence of sulfuric acid. Ethyl nonanoate is recognized as GRAS by FEMA, FEMA number 2447, and is approved by FDA for consumption. The European Council also includes ethyl nonanoate in the list of artificial edible spices that can be used in food without harming human health. Its ADI value is 1 mg/kg. According to relevant data, acute toxicity data of ethyl nonanoate: oral LD50>43g/kg (rats), skin test LD50>5g/kg (rabbits). |
| content analysis | determined by method 2 in ester determination method (OT-18). The sample amount taken is 1.5g. The equivalent factor (e) in the calculation is 93.15. It should be determined by non-polar column method in GT-10-4. |
| toxicity | Adl 0~2.5 mg/kg(FAO/WHO,1992). LD50 24g/kg (pigeon, via mouth). |
| usage limit | FEMA(mg/kg): soft drink 3.0; Cold drink 4.0; Candy 14; Baked food 15; Pudding 15; Gum candy 580; Alcohol 20; Sugar coating 39. Moderate limit (FDA § 172.515,2000). |
| use | GB 2760-96 specifies edible spices allowed to be used. It is mainly used to prepare sweet and sour fruit flavors, brandy, rum and coconut flavors. Ethyl nonanoate has a grape aroma. It is often used to prepare edible flavors and spices for wine and whiskey. It can also be used as a variation of floral flavors. |
| Production method | It is obtained by esterification of nonanoic acid and ethanol in the presence of sulfuric acid. It is obtained by distillation of nonanoic acid and ethanol after esterification in toluene with a small amount of hydrochloric acid as a catalyst. |
Last Update：2024-04-09 15:16:47
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