Introduction：Basic information about 2-Isopropyl-5-methylanisole CAS 1076-56-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Isopropyl-5-methylanisole Basic information
| Product Name: | 2-Isopropyl-5-methylanisole |
| Synonyms: | 2-isopropyl-5-methyl-anisol;2-isopropyl-5-methylanisole;2-isopropyl-5-methyl-Anisole;2-methoxy-4-methyl-1-(1-methylethyl)-benzen;2-methoxy-4-methyl-1-(1-methylethyl)-Benzene;THYMOL METHYL ETHER;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-yl-benzene |
| CAS: | 1076-56-8 |
| MF: | C11H16O |
| MW: | 164.24 |
| EINECS: | 214-063-9 |
| Product Categories: | M-N;Alphabetical Listings;Flavors and Fragrances |
| Mol File: | 1076-56-8.mol |
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2-Isopropyl-5-methylanisole Chemical Properties
| Boiling point | 214-216 °C(lit.) |
| density | 0.94 g/mL at 25 °C(lit.) |
| FEMA | 3436 | 1-METHYL-3-METHOXY-4-ISOPROPYLBENZENE |
| refractive index | n20/D 1.5063(lit.) |
| Fp | 51 °C |
| storage temp. | -20°C Freezer |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Oil |
| color | Colourless |
| Odor | at 1.00 % in dipropylene glycol. woody smoky burnt |
| Odor Type | herbal |
| biological source | synthetic |
| JECFA Number | 1246 |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3 |
| InChIKey | LSQXNMXDFRRDSJ-UHFFFAOYSA-N |
| SMILES | COc1cc(C)ccc1C(C)C |
| LogP | 3.93 |
| EPA Substance Registry System | 2-Isopropyl-5-methylanisole (1076-56-8) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 10-36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| RTECS | BZ8770000 |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 2909309090 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
2-Isopropyl-5-methylanisole Usage And Synthesis
| Description | May be prepared from thymol and dimethylsulfate in alkaline solution; from sodium thymolate with dimethylsulfate in water. |
| Occurrence | In the oils of French Christinium maritinium, Orhodon madai, O. hirtum, O. tenuicaule, O. japonicum albiflorum, O. pseudohirtum, O. goshizanese, Eupatorium fortunei, and Monarda punctata. Also reported found in tangerine peel oil,thyme, clove leaf, ginger and sweet marjoram |
| Uses | 2-Isopropyl-5-methylanisole can be used for antifungal and antibiofilm activities. 2-Isopropyl-5-methylanisolemay serve as a modifier in mildly spicy fragrances, as a companion to Methyleugenol for “Tea-Like” notes, in Chypre or Fougere variations, in detergent fragrances, etc. |
| Definition | ChEBI: Thymol methyl ether is a monoterpenoid. |
| Preparation | From thymol and dimethylsulfate in alkaline solution; from sodium thymolate with dimethylsulfate in water. |
| General Description | Natural occurrence: Coffee, french fried potato. |
| Biochem/physiol Actions | Taste at 1.0-5.0 ppm |
2-Isopropyl-5-methylanisole Preparation Products And Raw materials
| Raw materials | Isopropylboronic acid-->Phenyl butyrate-->1-Propanol-->2-Methoxy-4-methylphenol-->Isopropyl alcohol-->Dimethyl sulfate-->Iodomethane-->Dimethyl carbonate-->Trimethylphenylammonium chloride-->Tetramethylammonium chloride-->3-Methylanisole-->Thymol |
