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| CAS No.: | 1706-11-2 |
|---|---|
| Name: | 2,5-DIMETHYLANISOLE |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C9H12O |
| Molecular Weight: | 136.194 |
| Synonyms: | 2,5-Dimethylphenol methylether;2-Methoxy-1,4-dimethylbenzene;2-Methoxy-p-xylene;3,6-Dimethylanisole;Methoxy-p-xylene;Anisole,2,5-dimethyl- (6CI,7CI,8CI); |
| EINECS: | 216-943-8 |
| Density: | 0.933 g/cm3 |
| Melting Point: | 90-92 °C |
| Boiling Point: | 189.699 °C at 760 mmHg |
| Flash Point: | 66.033 °C |
| Appearance: | Clear colourless to slightly yellowish liquid |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-37/38-41 |
| Safety: | 24/25 |
| PSA: | 9.23000 |
| LogP: | 2.31200 |
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Specification
The Benzene,2-methoxy-1,4-dimethyl-, with CAS registry number 1706-11-2, belongs to the following product categories: (1)Aromatic Ethers; (2)Anisoles, Alkyloxy Compounds & Phenylacetates; (3)Ethers; (4)Organic Building Blocks; (5)Oxygen Compounds. It has the systematic name of 2,5-dimethylphenyl methyl ether. This chemical is a kind of clear colourless to slightly yellowish liquid. When use this chemical, avoid contact with skin and eyes. What's more, its EINECS is 216-943-8.
Physical properties of Benzene,2-methoxy-1,4-dimethyl-: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 123.28; (6)ACD/BCF (pH 7.4): 123.28; (7)ACD/KOC (pH 5.5): 1092.12; (8)ACD/KOC (pH 7.4): 1092.12; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 42.58 cm3; (15)Molar Volume: 145.9 cm3; (16)Polarizability: 16.88×10-24cm3; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 0.932 g/cm3; (19)Flash Point: 66.1 °C; (20)Enthalpy of Vaporization: 40.85 kJ/mol; (21)Boiling Point: 189.7 °C at 760 mmHg; (22)Vapour Pressure: 0.778 mmHg at 25°C.
Uses of Benzene,2-methoxy-1,4-dimethyl-: it can be used to produce 2-methoxy-4-methyl-benzaldehyde. This reaction will need reagents copper(II) sulfate pentahydrate, potassium peroxydisulfate and solvents acetonitrile, H2O. The yield is about 95%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(ccc1C)C)C
(2)InChI: InChI=1/C9H12O/c1-7-4-5-8(2)9(6-7)10-3/h4-6H,1-3H3
(3)InChIKey: SJZAUIVYZWPNAS-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H12O/c1-7-4-5-8(2)9(6-7)10-3/h4-6H,1-3H3
(5)Std. InChIKey: SJZAUIVYZWPNAS-UHFFFAOYSA-N