2-ethylhexanoate
Butyl butyrate
CAS: 109-21-7
Molecular Formula: C8H16O2
2-ethylhexanoate - Names and Identifiers
| Name | Butyl butyrate |
| Synonyms | Butyl butyrate butyl butanoate n-Butyl butyrate 1-Butyl butyrate Butyl n-butyrate N-BUTYL BUTYRATE 2-ethylhexanoate n-Butyl n-Butyrate N-BUTYL N-BUTYRATE BUTYL BUTYRATE, NATURAL BUTYL BUTYRATE GC STANDARD N-BUTYRIC ACID N-BUTYL ESTER |
| CAS | 109-21-7 |
| EINECS | 203-656-8 |
| InChI | InChI=1/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1 |
2-ethylhexanoate - Physico-chemical Properties
| Molecular Formula | C8H16O2 |
| Molar Mass | 144.21 |
| Density | 0.869 g/mL at 25 °C (lit.) |
| Melting Point | -92 °C |
| Boling Point | 164-165 °C (lit.) |
| Flash Point | 121°F |
| JECFA Number | 151 |
| Water Solubility | Soluble in water. (1 g/L). |
| Solubility | 0.50g/l |
| Vapor Presure | 1.32hPa at 20℃ |
| Appearance | Liquid |
| Color | Clear colorless to pale yellow |
| Merck | 14,1556 |
| BRN | 1747101 |
| Storage Condition | Flammables area |
| Explosive Limit | 1%(V) |
| Refractive Index | n20/D 1.406(lit.) |
| Physical and Chemical Properties | Character: colorless transparent liquid. With apple aroma. melting point -91.5 ℃ boiling point 166.6 ℃ relative density 0.8709 refractive index 1.4075 flash point 53 ℃ solubility insoluble in water, soluble in ethanol, ether and other organic solvents. |
| Use | Mainly used for the preparation of daily food flavor, but also in the manufacture of paint, resin and nitrocellulose solvent |
2-ethylhexanoate - Risk and Safety
| Risk Codes | 10 - Flammable |
| Safety Description | S2 - Keep out of the reach of children. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 3272 3/PG 3 |
| WGK Germany | 2 |
| RTECS | ES8120000 |
| TSCA | Yes |
| HS Code | 29156000 |
| Hazard Class | 3 |
| Packing Group | III |
2-ethylhexanoate - Nature
Open Data Verified Data
colorless to yellowish transparent liquid with banana aroma. Soluble in ethanol, ether and other organic solvents, slightly soluble in water and propylene glycol.
Last Update：2024-01-02 23:10:35
2-ethylhexanoate - Preparation Method
Open Data Verified Data
from butyric acid and butanol in sulfuric acid catalyzed esterification, washing, drying, distillation.
Last Update：2022-01-01 10:07:55
2-ethylhexanoate - Use
Open Data Verified Data
for the preparation of banana, pineapple, apple and other fruit flavor food flavor and licorice flavor, can also be used for the flavor of cream flavor. In general, the amount of 150 N 1500mg/kg in chewing gum; 24mg/kg in candy; 22mg/kg in cold drink; 22mg/kg in baked food; 8. 6 mg/kg in beverage.
Last Update：2022-01-01 10:07:55
2-ethylhexanoate - Reference Information
| FEMA | 2186 | BUTYL BUTYRATE |
| olfactory Threshold | 0.0048ppm |
| LogP | 2.16 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) |
| assay | was performed as described in method one of the ester assay (OT-18). The amount of the sample was 1G. The equivalence factor (e) in the calculation is taken as 72.10. Or as G-10-4 with non-polar column determination. |
| toxicity | LD50 88.25mg/kg (mouse, oral). ADI lmg/kg(CE). |
| usage limit | FEMA(mg/kg): Soft drink 8.6; Cold drink 22; Candy 24; Baked goods 22; pudding 14; 150 ~ |
| purpose | is mainly used for the preparation of daily food flavor, but also in the manufacture of paint, used as a solvent for resin and nitrocellulose GB 2760-96 provides for the permitted use of flavorants. Mainly used for the preparation of apple, pear, banana and cream flavor. occasionally used for cosmetics flavor, mainly with its fruit flavor in lipstick flavor, or as a modifier in the new flavor. A large number of food essences such as pineapple, banana, apple, pear, Berry, nuts, peach, alcohol, etc. butyl butyrate is a kind of edible flavor that is allowed to be used by our country. It is commonly used in the preparation of banana, pineapple, apple and other fruit flavor, as well as the flavor of the cream flavor. Dosage according to the normal production needs, generally in the chewing gum usage is about 150 ~ 1500mg/kg; Candy in 24 mg/kg; Cold drink in 22 mg/kg; Baked food in 22 mg/kg; 8.6mg/kg in beverage. used in organic synthesis, as solvent and fragrance. Butyl butyrate as a solvent, applied to nitrocellulose, shellac, coumarone resin and coatings; Used as spices is mainly modified with apple, pineapple and other flavors. used as chromatographic analysis standard substance and solvent, also used in organic synthesis mainly used in the preparation of daily food flavor, but also in the manufacture of paint, solvent for resin and nitrocellulose organic synthesis. Fragrance preparation. Solvent. Used in organic synthesis, as a solvent and fragrance. |
| production method | is obtained by esterification of butyric acid and butanol. Butyric acid, butanol and a small amount of sulfuric acid were added into the reaction Pan, heated and refluxed for about 4-5H, then neutralized with alkali, washed, and fractionated under reduced pressure to collect 112 ℃(14.6kPa) fractions to obtain the finished product. n-butyl butyrate is naturally found in bananas, strawberries, apples, grapes, etc. It is produced industrially by esterification of butyric acid with butanol under sulfuric acid catalysis. Butyric acid, butanol and a small amount of concentrated sulfuric acid were added to the reaction kettle, heated to reflux for 4-5H, cooled and washed with water; Then neutralized with 5% Na2C03 solution, and then washed with water to neutral. 1kg of anhydrous calcium chloride was added, dried, filtered and distilled, and the fraction at 112 ° C. (14.6kPa) was collected to obtain butyl butyrate. C3H7COOH + C4H9OH[H2SO4]→ C3H7COOC4H9 + H2O is made by heating n-butanol to 400 ° C. Vapor through manganese dioxide or zinc oxide. N-butanol was obtained by passing CuO-VO at 180-200 °c. It is refined by esterification of butyric acid and butanol under the catalysis of sulfuric acid. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | abdominal injection-rat LD50: 2300 mg/kg; Abdominal injection-mouse LD50: 8900 mg/kg |
| stimulation data | Skin-rabbit 500 mg/24 h moderate |
| flammability hazard characteristics | flammable in open flame, high temperature, strong oxidant; combustion emissions |
| storage and transportation characteristics | The package is complete, light and light unloading; The warehouse is ventilated, away from open flame, high temperature, separate from oxidant |
| fire extinguishing agent | foam, dry powder, carbon dioxide |
| Occupational Standard | SEL 20 mg/m3 |
Last Update：2024-04-09 19:05:07
Supplier List
Spot supply
Product Name: Butyl butyrate Request for quotationCAS: 109-21-7
Tel: +86-17551318830
Email: r@reformchem.com
Mobile: +86-17551318830
QQ: 3787852685
Spot supply
Product Name: Butyl butyrate Request for quotationCAS: 109-21-7
Tel: +86-17551318830
Email: r@reformchem.com
Mobile: +86-17551318830
QQ: 3785839865
Product Name: Butyl butyrate Request for quotation
CAS: 109-21-7
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
CAS: 109-21-7
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
Spot supply
Product Name: Ethyl Acetate Impurity 57 Visit Supplier Webpage Request for quotationCAS: 109-21-7
Tel: 0714-3999186
Email: 2853786052@qq.com
Mobile: 86+15671228036
QQ: 2853786052
Wechat: 15671228036
Spot supply
Product Name: Butyl butyrate Request for quotationCAS: 109-21-7
Tel: +86-17551318830
Email: r@reformchem.com
Mobile: +86-17551318830
QQ: 3787852685
Spot supply
Product Name: Butyl butyrate Request for quotationCAS: 109-21-7
Tel: +86-17551318830
Email: r@reformchem.com
Mobile: +86-17551318830
QQ: 3785839865
Product Name: Butyl butyrate Request for quotation
CAS: 109-21-7
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
CAS: 109-21-7
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
Spot supply
Product Name: Ethyl Acetate Impurity 57 Visit Supplier Webpage Request for quotationCAS: 109-21-7
Tel: 0714-3999186
Email: 2853786052@qq.com
Mobile: 86+15671228036
QQ: 2853786052
Wechat: 15671228036
View History