Methyl 3-methylbutanoate
Methyl Isovalerate
CAS: 556-24-1
Molecular Formula: C6H12O2
Methyl 3-methylbutanoate - Names and Identifiers
| Name | Methyl Isovalerate |
| Synonyms | Methyl Isovalerate Methyl isopentanoate 2,3-dimethylbutanoate Methyl 3-methylbutanoate 2-methylbutyl isovalerate 3-methyl-butanoicacimethylester 3-methyl-butyricacidmethylester 3-methyl-butanoicacidmethylester 3-Methylbutanoic acid methyl ester Butanoicacid,3-methyl-,methylester Isovaleric acid methyl ester~3-Methylbutyric acid methyl ester~Methyl isopentanoate~Methyl 3-methylbutyrate |
| CAS | 556-24-1 |
| EINECS | 209-117-3 |
| InChI | InChI=1/C6H12O2/c1-4(2)5(3)6(7)8/h4-5H,1-3H3,(H,7,8)/p-1 |
Methyl 3-methylbutanoate - Physico-chemical Properties
| Molecular Formula | C6H12O2 |
| Molar Mass | 116.16 |
| Density | 0.881 g/mL at 25 °C (lit.) |
| Melting Point | -91°C (estimate) |
| Boling Point | 114-115 °C (lit.) |
| Flash Point | 58°F |
| JECFA Number | 195 |
| Water Solubility | insoluble |
| Vapor Presure | 0.236mmHg at 25°C |
| Appearance | neat |
| Color | Colorless to Almost colorless |
| Merck | 14,6093 |
| BRN | 1699922 |
| Refractive Index | n20/D 1.393(lit.) |
| Physical and Chemical Properties | Colorless liquid. With medicinal herbs and fruit aroma. Soluble in ethanol and most non-volatile oils, insoluble in water. |
Methyl 3-methylbutanoate - Risk and Safety
| Hazard Symbols | F - Flammable |
| Risk Codes | 11 - Highly Flammable |
| Safety Description | 16 - Keep away from sources of ignition. |
| UN IDs | UN 2400 3/PG 2 |
| WGK Germany | 3 |
| RTECS | NY1510000 |
| FLUKA BRAND F CODES | 13 |
| TSCA | Yes |
| HS Code | 29159000 |
| Hazard Class | 3 |
| Packing Group | II |
Methyl 3-methylbutanoate - Reference Information
| FEMA | 2753 | METHYL ISOVALERATE |
| olfactory threshold (Odor Threshold) | 0.0022ppm |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | determined by method 1 in ester determination method (OT-18). The sample amount taken is 1.3g. The equivalent factor (e) in the calculation is 86.14. Or by gas chromatography (GT-10-4) with non-polar column method. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drink 9.3; Cold drinks, candy, 2 6.0; Baked products 30.0; Gum sugar 35.0. FDA(§ 172.5 15,2000): Moderate limit. FEMA(mg/kg): soft drink 9.3; Cold drink 26; Candy 26; Baked food 30; Gum candy 35. Moderates are limited (FDA § 172.515,2000). |
| use | spices. It is mainly used to prepare fruit essence. |
| Production method | It is formed by direct esterification of 2-methylbutanol and isovaleric acid. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | inhalation-mouse LC50: 20.25g/m3/2 h |
| flammability hazard characteristics | flammable; spicy and irritating smoke emitted from the fire site |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from oxidant storage and transportation |
| fire extinguishing agent | dry powder, carbon dioxide; 1211; Foam |
| occupational standard | STEL 5 mg/m3 |
Last Update：2024-04-09 15:16:46
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