n-Butyl n-hexanoate
butyl caproate
CAS: 626-82-4
Molecular Formula: C10H20O2
n-Butyl n-hexanoate - Names and Identifiers
| Name | butyl caproate |
| Synonyms | butyl caproate BUTYL HEXANOATE Butyl Hexanoate N-BUTYL CAPROATE Butyl-n-hexanoate N-BUTYL HEXANOATE n-Butyl n-hexanoate Butyl ester of hexanoic acid n-Caproic acid n-butyl ester N-CAPROIC ACID N-BUTYL ESTER n-Hexanoic acid n-butyl ester N-HEXANOIC ACID N-BUTYL ESTER |
| CAS | 626-82-4 |
| EINECS | 210-964-6 |
| InChI | InChI=1/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3 |
n-Butyl n-hexanoate - Physico-chemical Properties
| Molecular Formula | C10H20O2 |
| Molar Mass | 172.26 |
| Density | 0.866 g/mL at 25 °C (lit.) |
| Melting Point | -64.3°C |
| Boling Point | 61-62 °C/3 mmHg (lit.) |
| Flash Point | 178 ºF |
| JECFA Number | 162 |
| Vapor Presure | 0.233mmHg at 25°C |
| Appearance | Transparent, colorless liquid |
| Color | Colorless |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.416 |
| MDL | MFCD00053804 |
| Physical and Chemical Properties | Colorless liquid. Pineapple and wine-like aroma. Boiling point of 208 °c or 61 to 62 °c (400Pa). The flash point was 70 °c. Natural products are found in soft fruits such as cheese, wine, tomato, apricot, banana, and orange juice, beer, etc. |
| Use | Solvent. Organic synthesis. Spice synthesis. |
n-Butyl n-hexanoate - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | MO6950000 |
| HS Code | 29156000 |
n-Butyl n-hexanoate - Introduction
It is miscible with ethanol and ether and insoluble in water.
Last Update：2022-10-16 17:27:23
n-Butyl n-hexanoate - Reference Information
| FEMA | 2201 | BUTYL HEXANOATE |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| Application | butyl hexanoate is an ester organic substance, which is mainly used as food flavor. Mainly used for the preparation of pineapple, wine and other flavors. food flavor. Mainly used for the preparation of pineapple, wine and other flavors. |
| usage limit | FEMA(mg/kg): Soft drink 1.7; Cold drink 3.9; Candy 7.6; Baked product 10.0. FDA,§ 172.515: limited to the appropriate amount. |
| production method | the synthesized product is obtained by esterification of hexanoic acid and n-butanol in benzene solution in the presence of p-toluenesulfonic acid. Natural products can be obtained as by-products from the fermentation of acetone-butanol. |
| category | toxic substances |
| toxicity grade | low toxicity |
| Acute toxicity | oral-rat LD50: > 5000 mg/kg |
| stimulation data | Skin-rabbits 500 mg/24 h mild |
| flammability hazard characteristics | toxic, spicy and irritating smoke emitted by thermal decomposition |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | water, dry powder, carbon dioxide, foam |
Last Update：2024-04-09 20:13:35
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