Cocodescol
6-Methylcoumarin
CAS: 92-48-8
Molecular Formula: C10H8O2
Cocodescol - Names and Identifiers
Cocodescol - Physico-chemical Properties
| Molecular Formula | C10H8O2 |
| Molar Mass | 160.17 |
| Density | 1.0924 (rough estimate) |
| Melting Point | 73-76 °C (lit.) |
| Boling Point | 303 °C/725 mmHg (lit.) |
| Flash Point | 303°C/725mm |
| JECFA Number | 1172 |
| Solubility | Soluble in ethanol, ether and benzene |
| Appearance | White crystalline powder |
| Color | White to Almost white |
| BRN | 4222 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5300 (estimate) |
| MDL | MFCD00006875 |
| Physical and Chemical Properties | White crystalline solid. It has coconut as sweet. Boiling point 303 ℃(99.66kPa), melting point 73~76 ℃, flash point 67.2 ℃. Soluble in benzene, hot ethanol and non-volatile oil, hardly soluble in hot water. |
| Use | Used as a spice |
Cocodescol - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R42/43 - May cause sensitization by inhalation and skin contact. |
| Safety Description | S22 - Do not breathe dust. S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| WGK Germany | 3 |
| RTECS | GN7792000 |
| TSCA | Yes |
| HS Code | 29321900 |
| Toxicity | The acute oral LD50 value in rats was reported to be 1.68 g/kg (1.43-1.93 g/kg) (Moreno, 1973). The acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973). |
Cocodescol - Reference Information
| FEMA | 2699 | 6-METHYLCOUMARIN |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | 6-Methylcoumarin (6-Methylcoumarin) is the national food safety standard for food additives in China GB2760-2014. It is defined as an allowable flavor, no. S1182, with coconut-like sweet flavor, which is mainly used to prepare such flavors as coconut, vanilla and caramel. |
| preparation | in a 25ml round-bottom flask, add 1.08g(10mmol) of p-methylphenol, catalyst Wells-Dawson Phosphotungstic acid 0.24g(0.1mmol),1.16g(10mmol) formyl ethyl acetate, mixed and heated at 90 C for 5 hours, toluene extraction. The solvent was removed by rotary evaporation, and separated and purified by column chromatography to obtain 0.58g of a white solid in a yield of 36.3%. |
| Use | is useful as an intermediate in organic synthesis and as a fragrance. GB 2760-96 provides for the permitted use of flavorants. Mainly used in the preparation of coconut, vanilla and caramel flavor. preparation for organic synthesis, fragrance and cosmetics use as fragrance use as intermediates and fragrance in organic synthesis. The product is China's GB 2760-86 provisions for the use of edible spices, mainly for the preparation of coconut, vanilla and caramel flavor. |
| content analysis | analysis was performed by gas chromatography (GT-10-4). The conditions were as follows: the column length was 1.6m, the inner diameter was 3.0, the material was glass, the packing was modified polyethylene glycol 20m (SPl000)4%, and the column carrier was 100/120 mesh diatomite carrier. The carrier gas is helium, and the flow rate is 50ml/min. Detector FID, detector temperature 250 °c. The injection temperature was 250 °c. Column temperature: Isothermal section 200 ℃, temperature rise 5 ℃/min. The final temperature was 250 °c. |
| toxicity | GRAS(FEMA). LD50 1680 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): Soft drink 5.2; Cold drink 4.8; Candy 21; Baked goods 24; pudding 39; Gum 0.80~15. |
| production method | is derived from the interaction of p-Cresol with fumaric acid. 72% sulfuric acid was preheated to 80 ° C., a mixture of fumaric acid and p-cresol was added, the reaction was maintained at 160-170 ° C. For 3-4H, cooled, poured into crushed ice to precipitate a precipitate, and filtered. The filtrate was extracted with benzene, and the resulting crude product was distilled under reduced pressure to obtain 6-methylcoumarin. obtained by decarboxylation of 6-methylcoumarin-3-carboxylic acid by heating at 300 to 340 °c. It is formed by the condensation of p-cresol disulfonic acid with fumaric acid in the presence of sulfuric acid. The lactone is formed by condensation of p-bromosalicylaldehyde with malonic acid in the presence of aniline followed by heating. It is formed by the interaction of salicylaldehyde with propionic anhydride and sodium propionate. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:05:15
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View History
Cocodescol
O-ETHYLETHANOLAMINE
QUARTZ
911482-75-2
532948-51-9
氧
444731-74-2
132945-76-7
374898-01-8
42448-04-4
O-ETHYLETHANOLAMINE
QUARTZ
911482-75-2
532948-51-9
氧
444731-74-2
132945-76-7
374898-01-8
42448-04-4