3-Methyl-2-butenal
3-methylcrotonaldehyde
CAS: 107-86-8
Molecular Formula: C5H8O
3-Methyl-2-butenal - Names and Identifiers
| Name | 3-methylcrotonaldehyde |
| Synonyms | Prenal senecialdehyde 3-methyl-2-butena 3-methylbut-2-enal 3-Methyl-2-butenal 3-methyl-but-2-enal 3,3-Dimethylacrolein 2-Butenal, 3-methyl- 3-methylcrotonaldehyde 3-methyl-2-butenal (prenal) 3,3-Dimethylacrolein3-MethylcrotonaldehydeSenecialdehyde |
| CAS | 107-86-8 |
| EINECS | 203-527-6 |
| InChI | InChI=1/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3 |
3-Methyl-2-butenal - Physico-chemical Properties
| Molecular Formula | C5H8O |
| Molar Mass | 84.12 |
| Density | 0.878 g/mL at 20 °C0.872 g/mL at 25 °C (lit.) |
| Melting Point | -20°C |
| Boling Point | 133-135 °C (lit.) |
| Flash Point | 93°F |
| JECFA Number | 1202 |
| Water Solubility | soluble |
| Solubility | soluble |
| Vapor Presure | 7 mm Hg ( 20 °C) |
| Appearance | Liquid |
| Color | Clear colorless to light yellow |
| Merck | 14,8448 |
| BRN | 1734740 |
| Storage Condition | 2-8°C |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.462(lit.) |
3-Methyl-2-butenal - Risk and Safety
| Risk Codes | R10 - Flammable R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R43 - May cause sensitization by skin contact R36/37/38 - Irritating to eyes, respiratory system and skin. R34 - Causes burns R20/22 - Harmful by inhalation and if swallowed. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection S16 - Keep away from sources of ignition. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 1989 3/PG 3 |
| WGK Germany | 2 |
| FLUKA BRAND F CODES | 9-13-23 |
| TSCA | Yes |
| HS Code | 29121900 |
| Hazard Class | 3 |
| Packing Group | III |
3-Methyl-2-butenal - Reference Information
| FEMA | 3646 | 3-METHYL-2-BUTENAL |
| LogP | 0.53 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) |
| Application | 3-methyl-2-butenal, or isopentenal, is a colorless liquid. 3-methyl-2-butenal can be used as a raw material of perfume, and isopentenal can also be used for the production of citral, isoplant alcohols (VE main intermediate), and the synthesis of vitamin A, carotenoid intermediates, rubber monomer, etc. |
| preparation | 0.1g silver acetate and 100g DT020 resin are mixed into the first-stage reactor, 100g of DT020 resin was then mixed into the second reactor. 100g of methyl butynol was mixed with 2000g of ethylene glycol and fed into the packed column of the first-stage reactor at a rate of 70g/min (total residence time in the two-stage reactor was 30min), from the bottom, 0.3mpag of carbon dioxide was introduced, and the temperature of the first reactor was 30 ° C. To synthesize isopentenal and further obtain an acetal intermediate. The reaction solution came out from the bottom of the first stage reactor and then entered the packing column of the second stage reactor. The temperature of the second stage reactor was 140 ° C., and the deprotection reaction took place to obtain isopentenal. At the top of the second column, 100.3g of 3-methyl-2-butenal was recovered, and the purity was 98.7% by gas chromatography. At the bottom of the column, ethylene glycol was recovered, and the reaction yield was 98.99%. |
Last Update：2024-04-09 02:00:04
