N-BUTYL ISOBUTYRATE
butyl isobutyrate
CAS: 97-87-0
Molecular Formula: C8H16O2
N-BUTYL ISOBUTYRATE - Names and Identifiers
| Name | butyl isobutyrate |
| Synonyms | butylisobutanoate Butyl isobutyrate butyl isobutyrate Butyl isobutanoate N-BUTYL ISOBUTYRATE 2,2-dimethylhexanoate BUTYL-iso-BUTYRATE FCC butyl 2-methylpropanoate N-BUTYL 2-METHYLPROPANOATE Isobutyric acid, butyl ester ISOBUTYRIC ACID N-BUTYL ESTER Isobutyric acid n- butyl ester 2-methyl-propanoicacibutylester 2-methylpropanoicacidbutylester Butyl ester of 2-methylpropanoic acid |
| CAS | 97-87-0 |
| EINECS | 202-614-6 |
| InChI | InChI=1/C8H16O2/c1-4-5-6-8(2,3)7(9)10/h4-6H2,1-3H3,(H,9,10)/p-1 |
N-BUTYL ISOBUTYRATE - Physico-chemical Properties
| Molecular Formula | C8H16O2 |
| Molar Mass | 144.21 |
| Density | 0.862g/mLat 25°C(lit.) |
| Melting Point | -88.07°C (estimate) |
| Boling Point | 155-156°C(lit.) |
| Flash Point | 110°F |
| JECFA Number | 188 |
| Vapor Presure | 0.0275mmHg at 25°C |
| Refractive Index | n20/D 1.401(lit.) |
| Physical and Chemical Properties | Colorless liquid with a strong fruit-like aroma of fresh apples and pineapples. Boiling point 166 ℃. Flash point 45 ℃. Miscible in ethanol, ether and most non-volatile oils, insoluble in propylene glycol, glycerin and water. Natural products are found in the essential oil of Roman chrysanthemum. |
N-BUTYL ISOBUTYRATE - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 3272 3/PG 3 |
| WGK Germany | 2 |
| RTECS | UA2466945 |
| HS Code | 29156000 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | GRAS(FEMA)。 |
N-BUTYL ISOBUTYRATE - Nature
Open Data Verified Data
colorless liquid. Strong fruit aroma, sweet pineapple flavor. Insoluble in water, soluble in organic solvents such as ethanol. Volatile diffusion.
Last Update：2024-01-02 23:10:35
N-BUTYL ISOBUTYRATE - Preparation Method
Open Data Verified Data
from isobutyric acid and n-butanol in the presence of concentrated sulfuric acid catalyzed.
Last Update：2022-01-01 10:08:26
N-BUTYL ISOBUTYRATE - Application
Open Data Verified Data
used as a modifier of the head flavor in the daily chemical flavor.
Last Update：2025-08-19 16:24:40
N-BUTYL ISOBUTYRATE - Safety
Open Data Verified Data
Acute oral LD50 in rats and percutaneous LD50 in rabbits were all> 5g/kg. Under the closed condition, the product was applied to the skin of the rabbit, and no irritation was found after 1 day. A two-day closed skin contact test with 4% Vaseline on human body showed no irritation.
Last Update：2022-01-01 10:08:27
N-BUTYL ISOBUTYRATE - Reference Information
| content analysis | determined by method 1 in ester content determination method (OT-18). The sample amount taken is 900mg. The equivalent factor (e) in the calculation is 72.10. Or by non-polar column method in GT-10-4. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drink 8.7; Cold drinks 4.0~5.0; Candy 19; Baked food 39; Gum sugar 2000. Moderate limit (FDA § 172.515,2000). |
| maximum allowable usage of food additives maximum allowable residue standard | ▼ ▲ Chinese name of additive allowed to use this kind of additive Chinese name of food additive function maximum allowable usage (g/kg) maximum allowable residue (g/kg) butyl isobutyrate food and food spices shall not exceed the maximum allowable usage and maximum allowable residue in GB 2760 |
| chemical properties | colorless liquid with strong fruit-like fragrance of fresh apples and pineapples. Boiling point 166 ℃. Flash point 45 ℃. Miscible in ethanol, ether and most non-volatile oils, insoluble in propylene glycol, glycerin and water. Natural products are found in the essential oil of Roman chrysanthemum. |
| use | GB 2760-96 specifies edible spices allowed to be used. Mainly used to prepare pineapple, apple and berry flavors. |
| Production method | It is made by esterification of isobutyric acid and n-butanol in the presence of sulfuric acid. |
| category | flammable liquid |
| toxicity classification | low toxicity |
| acute toxicity | oral-rat LD50: > 5000 mg/kg |
| flammability hazard characteristics | when exposed to heat, open flame, strong oxidant is flammable; Thermal decomposition discharges toxic and spicy stimulating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Fire prevention, separate from oxidant |
| fire extinguishing agent | carbon dioxide, dry powder, foam |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
Last Update：2024-04-09 21:11:58
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