620-02-0
5-methylfurfural
CAS: 620-02-0
Molecular Formula: C6H6O2
620-02-0 - Names and Identifiers
| Name | 5-methylfurfural |
| Synonyms | FEMA 2702 Methylfurfural 5-methylfurfural 5-methyl furfural 5-Methylfuraldehyde 5-METHYL-2-FURALDEHYDE 5-Methyl-2-furaldehyde 2-FORMYL-5-METHYLFURAN 5-METHYLFURANCARBOXALDEHYDE 5-METHYL-2-FURANCARBALDEHYDE 5-methylfuran-2-carbaldehyde 5-methyl-2-furancarboxaldehyde 5-methylfurfural,5-methyl-2-furanaldehyde |
| CAS | 620-02-0 |
| EINECS | 210-622-6 |
| InChI | InChI=1/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3 |
| InChIKey | OUDFNZMQXZILJD-UHFFFAOYSA-N |
620-02-0 - Physico-chemical Properties
| Molecular Formula | C6H6O2 |
| Molar Mass | 110.11 |
| Density | 1.107g/mLat 25°C(lit.) |
| Melting Point | 171 °C |
| Boling Point | 187-189°C(lit.) |
| Flash Point | 163°F |
| JECFA Number | 745 |
| Water Solubility | Soluble in alcohol and water. |
| Solubility | Soluble in alcohol and water. |
| Vapor Presure | 0.644mmHg at 25°C |
| Appearance | Oillike has a sweet and spicy smell and caramel fragrance. |
| Specific Gravity | 1.1075 (20/20℃) |
| Color | very deep yellow to brown |
| BRN | 106895 |
| Storage Condition | 2-8°C |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.531 |
| MDL | MFCD00003232 |
| Physical and Chemical Properties | This product is a slightly yellow transparent liquid, B. p.72 ~ 73 ℃/1.5kpa (or 187 ℃),n20D 1.5307, relative density 1.1070, soluble in benzene, toluene, carbon tetrachloride and other solvents, insoluble in water. |
| Use | Used as tobacco flavor |
620-02-0 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 2 |
| RTECS | LT7032500 |
| TSCA | Yes |
| HS Code | 29329995 |
620-02-0 - Upstream Downstream Industry
| Raw Materials | N,N-Dimethylformamide |
| Downstream Products | N,N-Dimethylformamide |
620-02-0 - Reference
| Reference Show more | 1. Liu Zhen, Zhu, Lixia. Determination of 5-hydroxymethylfurfural, furfural, acetofuran, furanone and 5-methylfurfural by high performance liquid chromatography [J]. Food Research and Development, 2019, 40(18):166-170. |
620-02-0 - Reference Information
| FEMA | 2702 | 5-METHYLFURFURAL |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 5-methylfuranaldehyde, also known as 5-methylfurfural, is an important fine chemical, widely used in medicine, pesticides, cosmetics and other industries, is an important component of common edible spices, and even considered to be an important anti-cancer drug; In addition, it can also be used as an important intermediate for renewable fuels (high quality diesel, 2, 5-dimethylfuran, etc.). 5-methylfurfural is industrially mainly prepared by reacting 5-methylfuran with phosphorus oxychloride or phosgene, which is expensive and highly toxic. |
| synthesis method | 100mg starch, 2mmol sodium iodide, 2ml water, the autoclave was sealed with 0.18mmol HCl(37wt%), 3ML n-octane, charged with hydrogen (100psi), stirred and rapidly heated to 180 °c for 1H. The reaction kettle ice water bath was cooled to room temperature, and the organic phase was collected and detected. The yield of 2-methyl furan was 4.2%, the yield of furfural was 1.6%, and the yield of 5-methyl furan aldehyde was 10.1%, the overall yield was 15.9%. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): Beverage, cold drink, 0.13; Candy, 0.03~0.13; fused-baked product 0.03. |
| Use | 5-methylfurfural is an intermediate of pyrethroid fenpropathrin and propermethrin. GB 2760-1996 provides for the permitted use of food flavors. used as tobacco flavor |
| production method | is obtained by distillation of various methyl pentoses together with acid. The preparation method is to add 2-methyl furan and N,N-dimethylformamide into three bottles, slowly add phosphorus oxychloride at low temperature, complete feeding, and react at low temperature for 1-2H, the reaction was then poured into water, neutralized with Na2CO3, the oil layer was separated, the water layer was extracted with a solvent, the organic phase and the oil layer were combined and dried, the solvent was distilled off, and then the product was distilled under reduced pressure. |
Last Update：2024-04-09 21:11:58
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