3228-02-2
4-isopropyl-3-methylphenol
CAS: 3228-02-2
Molecular Formula: C10H14O
3228-02-2 - Names and Identifiers
| Name | 4-isopropyl-3-methylphenol |
| Synonyms | Thymol Impurity 18 4-isopropyl-3-methylphenol 2-Methyl-4-isopropylphenol 3-Methyl-4-isopropylphenol Biosol4-Isopropyl-m-cresol 4-Isopropyl-2-methylphenol Isopropyl Methylphenol (IPMP) 2-Methyl-4-(1-methylethyl)phenol 3-methyl-4-(1-methylethyl)-pheno 2-methyl-4-(1-methylethyl)-phenol |
| CAS | 3228-02-2 |
| EINECS | 221-761-7 |
| InChI | InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3 |
| InChIKey | IJALWSVNUBBQRA-UHFFFAOYSA-N |
3228-02-2 - Physico-chemical Properties
| Molecular Formula | C10H14O |
| Molar Mass | 150.22 |
| Density | 0.9688 (estimate) |
| Melting Point | 111-114°C(lit.) |
| Boling Point | 246 °C |
| Water Solubility | 210mg/L at 20℃ |
| Solubility | The solubility at room temperature is about: 36% in ethanol, methanol 65%, isopropanol 50%, n-butanol 32%, acetone 65%. Insoluble in water |
| Vapor Presure | 1.81Pa at 25℃ |
| Appearance | White needle crystal |
| Color | White to Almost white |
| pKa | 10.36±0.18(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Sensitive | Easily absorbing moisture |
| Refractive Index | 1.5115 (estimate) |
| MDL | MFCD00010704 |
| Physical and Chemical Properties | White needle-like crystals. Melting point 112 °c, boiling point 244 °c. The solubilities at room temperature were approximately 36% in ethanol, 65% in methanol, 50% in isopropanol, 32% in n-butanol and 65% in acetone. Insoluble in water. |
3228-02-2 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - 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. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | 1759 |
| WGK Germany | 2 |
| RTECS | GZ7170000 |
| HS Code | 29071990 |
| Hazard Class | 8 |
| Packing Group | III |
3228-02-2 - Reference
| Reference Show more | 1. Lei, Yu, Xiaoyan. Determination of o-cynomolid hydrocarbon -5-alcohol in oral care products by high performance liquid chromatography [J]. Oral care products industry, 2021,31(03):6-12. |
3228-02-2 - Reference Information
| LogP | 3.43 |
| Use | 3-methyl-4-isopropylphenol is an effective reagent for cross-coupling reactions. Used as an antiseptic and fungicide for cream cosmetics. |
| Production method | Dissolve m-cresol and chloroisopropane in trichloroethylene, use anhydrous aluminum trichloride as a catalyst, and react at 10-15 ℃, Then hydrolyze and distill to obtain 3-methyl -4-isopropyl phenol. In addition, m-cresol reacts with isopropanol at 100-120°C, and the finished product can also be produced with sulfuric acid or phosphoric acid as a catalyst. |
Last Update：2024-04-09 15:16:49
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