Trimethylhydroquinone
Trimethylhydroquinone
CAS: 700-13-0
Molecular Formula: C9H12O2
Trimethylhydroquinone - Names and Identifiers
| Name | Trimethylhydroquinone |
| Synonyms | tmhq -Cumoquinol psi-Cumohydroquinone trimethyl-hydroquinon Trimethylhydroquinone Pseudocumohydroquinone Hydroquinone, trimethyl- 3,6-dihydroxypseudocumol 3,6-Dihydroxypseudoquinone 2,3,5-Trimethylhydroquinone 2,3,5-trimethylbenzene-1,4-diol 4-Benzenediol,2,3,5-trimethyl-1 1,4-Dihydroxy-2,3,5-trimethylbenzene |
| CAS | 700-13-0 |
| EINECS | 211-838-3 |
| InChI | InChI=1/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3 |
| InChIKey | AUFZRCJENRSRLY-UHFFFAOYSA-N |
Trimethylhydroquinone - Physico-chemical Properties
| Molecular Formula | C9H12O2 |
| Molar Mass | 152.19 |
| Density | 0.9595 (rough estimate) |
| Melting Point | 169-172 °C (lit.) |
| Boling Point | 295 °C (759.8513 mmHg) |
| Flash Point | 191 °C |
| Water Solubility | 2 g/L (20 ºC) |
| Solubility | methanol: 0.1g/mL, clear |
| Vapor Presure | 0-0.017Pa at 20-50℃ |
| Appearance | White-like, brown or orange powder |
| Color | Beige |
| BRN | 1909183 |
| pKa | 11.28±0.28(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Refractive Index | 1.4464 (estimate) |
| MDL | MFCD00002346 |
| Physical and Chemical Properties | Melting point 169-174°C boiling point 295°C (759.8513 mmHg) flash point 191°C water-soluble 2g/L (20°C) |
| Use | For the synthesis of vitamin E |
Trimethylhydroquinone - Risk and Safety
| Risk Codes | R20 - Harmful by inhalation R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R43 - May cause sensitization by skin contact R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S24 - Avoid contact with skin. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 3077 9/PG 3 |
| WGK Germany | 2 |
| RTECS | MX7820000 |
| FLUKA BRAND F CODES | 9-23 |
| TSCA | Yes |
| HS Code | 29072990 |
| Hazard Class | 9 |
| Packing Group | III |
Trimethylhydroquinone - Reference Information
| LogP | 3.32 at 25℃ |
| dissociation constant | 10.8-12.9 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| intermediates of vitamin E | trimethylhydroquinone and isophytoalcohols are two intermediates for the synthesis of vitamin E, at present, trimethylhydroquinone on the world market is mainly produced by BASF in Germany and Roche in Switzerland, which is far from meeting the demand of vitamin E. China's current 2,3,5 trimethylhydroquinone is also only a few companies put into operation, China has become the world's second largest feed production country, if the amount of vitamin E in animal feed according to Foreign average level, vitamin E consumption is approximately 2000t per year. According to China's feed industry planning, 2005 feed demand synthetic vitamin E is about 2500T. And the future of China's medicinal, food, cosmetics and other vitamin E demand will grow steadily. Therefore, the future market of 2,3, 5-trimethylhydroquinone will not be in a saturated state in the last ten years or even twenty years. The development of this project has broad application prospects. Vitamin E is not only used as an additive in medicine, feed, food and cosmetics, but also used more and more in industry, such as as an industrial antioxidant, a non-toxic and biodegradable stabilizer in polyolefin, etc. At present, the demand for vitamin E in the domestic and foreign markets has increased dramatically. Naturally occurring vitamin E is very limited, and timely production and expansion of vitamin E production will bring good economic benefits. |
| purpose | This product is the main ring of vitamin E, and the vitamin E is obtained by condensation with different plant alcohols. for the synthesis of vitamin E organic intermediates, pharmaceutical intermediates, can be used for the synthesis of VE. |
| production method | from 1,2, 4-trimethylbenzene by sulfonation, nitration, reduction, oxidation to obtain 2,3, 5-trimethyl-p-benzoquinone ([935-92-2]). 2,3, 5-trimethylbenzodiquinone is a yellow needle-like crystal with a melting point of 32 °c (38-29.5 °c) and a boiling point of 53 °c (53pa). The product produced by the above steps generally results in a solution of petroleum ether or gasoline. To the gasoline (or petroleum ether) solution of 2,3, 5-trimethylbenzoquinone, add the solution of sodium hydrosulfite with stirring, stir at room temperature for 3H, filter, wash the filter cake with 0.5% sodium hydrosulfite solution, after drying, trimethylhydroquinone was obtained. |
Last Update：2024-04-09 21:04:16
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