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CAS No.: | 1195-09-1 |
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Name: | 2-METHOXY-5-METHYLPHENOL |
Article Data: | 45 |
Cas Database | |
Molecular Structure: | |
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Formula: | C8H10O2 |
Molecular Weight: | 138.166 |
Synonyms: | 2-Methoxy-5-methylphenol, 98%; |
EINECS: | 214-791-7 |
Density: | 1.078 g/cm3 |
Melting Point: | 37 °C |
Boiling Point: | 226.4 °C at 760 mmHg |
Flash Point: | 99 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: |
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Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 29.46000 |
LogP: | 1.70920 |
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The Phenol,2-methoxy-5-methyl-, with the CAS registry number of 1195-09-1, is also known as 2-Methoxy-5-methylphenol, 98%. It belongs to the product category of Aromatic Phenols. Its EINECS registry number is 214-791-7. This chemical's molecular formula is C8H10O2 and molecular weight is 138.16. What's more, its IUPAC name is 2-Methoxy-5-methylphenol. This chemical's classification code is Mutation data. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.
Physical properties about the Phenol,2-methoxy-5-methyl- are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.51; (6)ACD/BCF (pH 7.4): 10.49; (7)ACD/KOC (pH 5.5): 187.43; (8)ACD/KOC (pH 7.4): 187.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 39.63 cm3; (15)Molar Volume: 128.1 cm3; (16)Surface Tension: 37.2 dyne/cm; (17)Density: 1.078 g/cm3; (18)Flash Point: 99 °C; (19)Boiling Point: 226.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0546 mmHg at 25 °C.
Preparation: this chemical is prepared by 3-Hydroxy-4-methoxy-benzaldehyde. The reaction needs reagent H2 and solvent Ethyl acetate. The reaction time is 5 h with reaction temperature of 20 °C. The yield is about 90 %.
Uses: it is used to produce other chemicals. For example, it is used to produce 4,4'-Dihydroxy-5,5'-dimethoxy-2,2'-dimethylbiphenyl. This reaction needs reagent (PhCO)2O2. Meanwhile, it needs solvent Benzene.
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. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cc(ccc1OC)C
(2) InChI: InChI=1/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3
(3) InChIKey: IFNDEOYXGHGERA-UHFFFAOYAV