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| CAS No.: | 6638-05-7 |
|---|---|
| Name: | 2,6-DIMETHOXY-4-METHYLPHENOL |
| Article Data: | 35 |
| Molecular Structure: | |
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| Formula: | C9H12O3 |
| Molecular Weight: | 168.192 |
| Synonyms: | p-Cresol,2,6-dimethoxy- (6CI,7CI,8CI);1-Methyl-3,5-dimethoxy-4-hydroxybenzene;2,6-Dimethoxy-4-cresol;2,6-Dimethoxy-4-methylphenol;2,6-Dimethoxy-p-cresol;3,5-Dimethoxy-4-hydroxytoluene;4-Hydroxy-3,5-dimethoxytoluene;4-Methyl-2,6-dimethoxyphenol;4-Methylsyringol;Methylsyringol;NSC 47901; |
| EINECS: | 229-641-6 |
| Density: | 1.105 g/cm3 |
| Melting Point: | 37-42 °C (lit.) |
| Boiling Point: | 268.3 °C at 760 mmHg |
| Flash Point: | 116.1 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | brown crystalline mass |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 38.69000 |
| LogP: | 1.71780 |
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- Total:36 Page 1 of 1 1
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Specification
The Phenol, 2, 6-dimethoxy-4-methyl-, with the CAS registry number 6638-05-7, is also known as p-Cresol, 2, 6-dimethoxy-. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Organic Building Blocks; Oxygen Compounds; Phenols; Alphabetical Listings; Flavors and Fragrances; M-N. Its EINECS registry number is 229-641-6. This chemical's molecular formula is C9H12O3 and molecular weight is 168.19. What's more, its IUPAC name is 2, 6-Dimethoxy-4-methylphenol.
Physical properties about Phenol, 2, 6-dimethoxy-4-methyl- are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.52; (8)Molar Refractivity: 46.31 cm3; (9)Molar Volume: 152.1 cm3; (10)Polarizability: 18.36×10-24 cm3; (11)Surface Tension: 36.2 dyne/cm; (12)Density: 1.105 g/cm3; (13)Flash Point: 116.1 °C; (14)Enthalpy of Vaporization: 52.68 kJ/mol; (15)Boiling Point: 268.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00469 mmHg at 25 °C.
Preparation of Phenol, 2, 6-dimethoxy-4-methyl-: this chemical is prepared by 4-Hydroxy-3, 5-dimethoxy-benzyl alcohol by heating. The reaction needs reagent LiAlH4. Meanwhile, it needs solvents Chlorobenzene and Tetrahydrofuran. The reaction time is 2 hours. The yield is about 61 %.
Uses of Phenol, 2, 6-dimethoxy-4-methyl-: it is used to produce other chemicals. For example, it is used to produce 1, 3-dimethoxy-8, 10-dimethyl-4-oxa-tricyclo[4.3.1.03,7]dec-8-en-2-one at ambient temperature. The reaction needs reagent DAIB and solvent CH2Cl2. The reaction time is 8 hours. The yield is about 40 %.
![Phenol, 2, 6-dimethoxy-4-methyl- can be used to produce 1, 3-dimethoxy-8, 10-dimethyl-4-oxa-tricyclo[4.3.1.03,7]dec-8-en-2-one.](/UserFilesUpload/Uses of Phenol, 2, 6-dimethoxy-4-methyl-.png)
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cc(cc(OC)c1O)C)C
(2) InChI: InChI=1/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
(3) InChIKey: ZFBNNSOJNZBLLS-UHFFFAOYAO