3-(2-Methoxyphenoxy)-1,2-propanediol
3-(2-Methoxyphenoxy)-1,2-propanediol
CAS: 93-14-1
Molecular Formula: C10H14O4
3-(2-Methoxyphenoxy)-1,2-propanediol - Names and Identifiers
| Name | 3-(2-Methoxyphenoxy)-1,2-propanediol |
| Synonyms | 2-G Guaifenesin Glycerol guaiacolate Glycerin Guaiacolate Guaiacol Glycerol Ether 3-(2-methoxyphenoxy)-2-propanediol 3-(o-methoxyphenoxy)-2-propanediol 3-(2-Methoxyphenosy)-1,2-propamediol 3-(2-Methoxyphenoxy)-1,2-propanediol 1,2-Propanediol, 3-(o-methoxyphenoxy)- 1,2-Propanediol, 3-(2-methoxyphenoxy)- 1,2-Dihydroxy-3-(2-methoxyphenoxy)propane |
| CAS | 93-14-1 |
| EINECS | 202-222-5 |
| InChI | InChI=1/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3/t8-/m0/s1 |
| InChIKey | HSRJKNPTNIJEKV-UHFFFAOYSA-N |
3-(2-Methoxyphenoxy)-1,2-propanediol - Physico-chemical Properties
| Molecular Formula | C10H14O4 |
| Molar Mass | 198.22 |
| Density | 1.1825 (rough estimate) |
| Melting Point | 77-81 °C |
| Boling Point | 215 °C (19 mmHg) |
| Flash Point | 215°C/19mm |
| Water Solubility | 5 g/100 mL (25 ºC) |
| Solubility | DMSO : 100 mg/mL (504.49 mM; Need ultrasonic and warming) |
| Vapor Presure | 1.04E-05mmHg at 25°C |
| Appearance | White to off-white (Solid) |
| Color | White to Off-White |
| Merck | 14,4555 |
| BRN | 2049375 |
| pKa | 13.53±0.20(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.5550 (estimate) |
| MDL | MFCD00016873 |
| Physical and Chemical Properties | Melting point 77-81°C boiling point 215°C (19 mmHg) water-soluble 5g/100 mL (25°C) |
| Use | Expectorant antitussive, suitable for phlegm cough chronic bronchitis, bronchiectasis and other diseases |
3-(2-Methoxyphenoxy)-1,2-propanediol - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 1 |
| RTECS | TY8400000 |
| TSCA | Yes |
| HS Code | 29093090 |
| Hazard Note | Harmful |
| Toxicity | LD50 oral in rabbit: 2553mg/kg |
3-(2-Methoxyphenoxy)-1,2-propanediol - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| expectorant drug | guaiphenesin is also known as dimethoxyphenyl ether, guaifenesin, guaifenesin, guaifenesin, it is an irritant expectorant, which can stimulate the gastric mucosa after oral administration, and increase the secretion of bronchial mucosal glands, reduce the viscosity of sputum, and make the phlegm easy to cough up. Suitable for the treatment of phlegm is not easy to cough. Guaiphenesin has a Disinfection antiseptic effect, can reduce the stench of sputum, but also has antitussive, antispasmodic, anticonvulsant effect, for chronic bronchitis, sputum Cough, lung abscess, bronchiectasis and secondary asthma, it is used in combination with other antitussive and Antiasthmatic drugs. Can be absorbed from the gastrointestinal tract, and in 1 to 3 hours to reach the peak blood concentration. Most of them were excreted from the intestine, and a small amount of glucuronic acid conjugates were rapidly excreted with urine. |
| Use | guaiphenesin is an expectorant antitussive drug, suitable for chronic bronchitis, bronchiectasis and other diseases. |
| production method | results from the condensation of sodium guaiacolate with 3-chloropropanediol. Sodium hydroxide solution and guaiacol were prepared into sodium phenolate at 40 ℃, 3-chloro-1, 2-propanediol was added, the temperature was raised to 95 ℃, and the mixture was allowed to stand at 92-98 ℃ for 3 hours, the brine layer was separated and acidified to pH 3-5 by addition of hydrochloric acid. The crystals were cooled and filtered. The filter cake was recrystallized from ethanol to obtain guaiphenesin. The yield was about 60%. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:52:54
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