Natural Isobutyl Propionate
isobutyl propionate
CAS: 540-42-1
Molecular Formula: C7H14O2
Natural Isobutyl Propionate - Names and Identifiers
| Name | isobutyl propionate |
| Synonyms | i-Butylpropionat isobutyl propionate iso-Butyl n-propionate Propionic acid isobutyl 2-methylpropyl propanoate 2-Methyl-1-propyl propanoate Natural Isobutyl Propionate Isobutyl ester of propanoic acid Propionic acid 2-methylpropyl ester Propionic acid (2-methylpropyl) ester |
| CAS | 540-42-1 |
| EINECS | 208-746-0 |
| InChI | InChI=1/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey | FZXRXKLUIMKDEL-UHFFFAOYSA-N |
Natural Isobutyl Propionate - Physico-chemical Properties
| Molecular Formula | C7H14O2 |
| Molar Mass | 130.18 |
| Density | 0.869g/mLat 25°C(lit.) |
| Melting Point | −71°C(lit.) |
| Boling Point | 66.5 °C |
| Flash Point | 80°F |
| JECFA Number | 148 |
| Solubility | 1.7g/l |
| Vapor Presure | 7.85mmHg at 25°C |
| Appearance | Liquid |
| Color | Colorless |
| Merck | 14,5150 |
| Storage Condition | Flammables area |
| Explosive Limit | 1.1-7.5%(V) |
| Refractive Index | n20/D 1.397(lit.) |
| Physical and Chemical Properties | Density 0.86
|
Natural Isobutyl Propionate - Risk and Safety
| Risk Codes | 10 - Flammable |
| Safety Description | 16 - Keep away from sources of ignition. |
| UN IDs | UN 2394 3/PG 3 |
| WGK Germany | 2 |
| RTECS | UF4930000 |
| HS Code | 29159000 |
| Hazard Class | 3.2 |
| Packing Group | III |
Natural Isobutyl Propionate - Reference Information
| FEMA | 2212 | ISOBUTYL PROPIONATE |
| olfactory threshold (Odor Threshold) | 0.02ppm |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drink 5.4; Cold drink 4.2; Candy 25; Baked food 35. Moderate limit (FDA § 172.515,2000). |
| use | GB 2760-96 specifies edible spices allowed to be used. Isobutyl propionate is mainly used to prepare fruit flavors such as rum and strawberries. |
| production method | is obtained by direct esterification of isobutanol and propionic acid. |
| category | flammable liquid |
| toxicity classification | low toxicity |
| acute toxicity | oral-rabbit LD50: 5599 mg/kg |
| flammability hazard characteristics | flammability in case of open flame, high temperature and oxidant; Combustion produces stimulating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from oxidant |
| fire extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
Last Update：2024-04-09 02:00:09
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CAS: 540-42-1
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CAS: 540-42-1
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