2-Methylbutyric aldehyde
2-Methylbutyraldehyde
CAS: 96-17-3
Molecular Formula: C5H10O
2-Methylbutyric aldehyde - Names and Identifiers
| Name | 2-Methylbutyraldehyde |
| Synonyms | 2-Formylbutane 2-Ethylpropanal 2-Methylbutanal 2-methyl-butana 2-Methyl-1-butanal (RS)-2-Methylbutanal (2R)-2-methylbutanal (2S)-2-methylbutanal 2-Methylbutyraldehyde 2-methyl-butyraldehyd 2-Methylbutyric aldehyde |
| CAS | 96-17-3 |
| EINECS | 202-485-6 |
| InChI | InChI=1/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1 |
2-Methylbutyric aldehyde - Physico-chemical Properties
| Molecular Formula | C5H10O |
| Molar Mass | 86.13 |
| Density | 0.806 g/mL at 20 °C0.804 g/mL at 25 °C (lit.) |
| Melting Point | -67.38°C (estimate) |
| Boling Point | 90-92 °C (lit.) |
| Flash Point | 40°F |
| JECFA Number | 254 |
| Water Solubility | Soluble in water, ether, and alcohol. |
| Vapor Presure | 49.3mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless |
| BRN | 1633540 |
| Storage Condition | 2-8°C |
| Sensitive | Air Sensitive |
| Explosive Limit | 1.3-13%(V) |
| Refractive Index | n20/D 1.3919(lit.) |
| Physical and Chemical Properties | 2-Methylbutyraldehyde is colorless to light yellow liquid, which has a strong suffocating smell. After dilution, it is coffee and cocoa flavor, and slightly sweet fruits and chocolate are similar to flavors. Boiling point 93 ℃. Slightly soluble in water, soluble in ethanol and propylene glycol. Flash point 4 ℃, flammable. |
2-Methylbutyric aldehyde - Risk and Safety
| Risk Codes | R11 - Highly Flammable R36 - Irritating to the eyes R43 - May cause sensitization by skin contact R36/37 - Irritating to eyes and respiratory system. |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S39 - Wear eye / face protection. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | UN 3371 3/PG 2 |
| WGK Germany | 1 |
| RTECS | ES3400000 |
| FLUKA BRAND F CODES | 10-23 |
| TSCA | Yes |
| HS Code | 29121900 |
| Hazard Class | 3 |
| Packing Group | II |
2-Methylbutyric aldehyde - Reference Information
| FEMA | 2691 | 2-METHYLBUTYRALDEHYDE |
| LogP | 1.23 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Overview | 2-methylbutyraldehyde also known as 2-methylbutyraldehyde, methyl ethyl acetaldehyde, the English name is isobutyralbegyde, 2-methyl butanal-1, molecular formula C5H10O, relative molecular mass 86.13, boiling point 93 ℃, relative density d2020 = 0.800. Slightly soluble in water, soluble in ethanol and propylene glycol. FEMA #2691. It is a colorless liquid at room temperature. |
| Use | 2-methylbutyraldehyde has a strong asphyxiating odor, after dilution, there is a unique aroma of cocoa and coffee, sweet, microstrip fruit flavor, nuts, furfural similar to isovaleraldehyde, malt, fermented flavor, chocolate-like flavor, can be used for the deployment of daily and food flavor. GB 2760-1996 provides for the permitted use of food flavors. For rum, chocolate, coffee, bananas, bread, tomatoes and other flavors. |
| Source | 2-methyl butyraldehyde natural products are found in black tea (Camellia sinensis) Berry Flowers, cabbage, cheese, rum, roasted peanuts, etc. |
| preparation method | 2-methylbutyraldehyde can be prepared by oxidation of SEC-butyl methanol isolated from a fusel oil obtained by fermentation. Beer production is not isolated from oxygen from the beginning of raw material crushing to the end of filtration, and the content of nicotine ethyl ester, heptanal and furfural in aging beer is not only increased, there was also a significant increase in 3-methyl-butyraldehyde and γ-coconut aldehyde. Thus, 2-fluorenone, 2-heptanone, and 2-methyl-butyraldehyde are considered indicators of oxygen uptake during wort manufacture. |
| toxicity | can be safely used in food (H)A,§ 172.515,2000). |
| usage limit | FEMA(mg/kg): soft drinks 1.5~2.0; Cold drinks 2.0~8.0; Candy 6.6; baked goods 5.7. |
| production method | from the separation of fusel oil obtained by SEC-butyl Methanol Oxidation. From the reduction of methyl butyric acid. |
Last Update：2024-04-09 15:16:53
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