Butyl laevulinate
Butyl Levulinate
CAS: 2052-15-5
Molecular Formula: C9H16O3
Butyl laevulinate - Names and Identifiers
| Name | Butyl Levulinate |
| Synonyms | Butyl Levulinate butyllaevulinate Butyl laevulinate butyl4-oxopentanoate Butyl 4-oxopentanoate butyl 4-oxopentanoate n-butyl 4-oxopentanoate levulinicacid,butylester Levulinic acid, butyl ester Levulinic acid n-butyl ester 2,4,5-Trimethoxyamphetamine Hydrochloride Levulinic Acid Butyl Ester4-Oxovaleric Acid Butyl EsterButyl 4-Oxovalerate |
| CAS | 2052-15-5 |
| EINECS | 218-143-4 |
| InChI | InChI=1/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3 |
| InChIKey | ISBWNEKJSSLXOD-UHFFFAOYSA-N |
Butyl laevulinate - Physico-chemical Properties
| Molecular Formula | C9H16O3 |
| Molar Mass | 172.22 |
| Density | 0.974g/mLat 25°C(lit.) |
| Boling Point | 106-108°C5.5mm Hg(lit.) |
| Flash Point | 197°F |
| JECFA Number | 608 |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 5Pa at 25℃ |
| Appearance | clear liquid |
| Specific Gravity | 0.974 |
| Color | Colorless to Almost colorless |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.427(lit.) |
| Physical and Chemical Properties | Colorless or straw-yellow liquid. Sweet, slightly pungent caramel-like aroma and light millet aroma; Slightly sweet caramel and bitter taste of herbs. Boiling point 238 °c. Slightly soluble in water, soluble in oil, ethanol, ether, chloroform and other organic solvents. |
Butyl laevulinate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | OI1695000 |
| TSCA | Yes |
| HS Code | 29183000 |
| Hazard Note | Irritant |
Butyl laevulinate - Reference Information
| FEMA | 2207 | BUTYL LEVULINATE |
| LogP | 1.435 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) |
| toxicity | GRAS(FEMA) |
| usage limit | FEMA(mg/kg): Beverage 0.20~1.0; Cold beverage 2.1; Candy and baked product 4.6. FDA,§ 172.515(2000): limited to the appropriate amount. |
| Use | food flavor. |
| production method | results from the esterification of levulinic acid with n-butanol in the presence of HCl. |
| 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, carbon dioxide, dry powder, foam |
Last Update：2024-04-09 20:48:19
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