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| CAS No.: | 2944-49-2 |
|---|---|
| Name: | 2,3-Dimethylanisole |
| Molecular Structure: | |
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| Formula: | C9H12O |
| Molecular Weight: | 136.194 |
| Synonyms: | Anisole,2,3-dimethyl- (6CI,7CI,8CI);1,2-Dimethyl-6-methoxybenzene;1-Methoxy-2,3-dimethylbenzene;2,3-Dimethylphenol methylether;3-Methoxy-o-xylene;NSC 137144; |
| EINECS: | 220-948-0 |
| Density: | 0.932 g/cm3 |
| Melting Point: | 29 °C(lit.) |
| Boiling Point: | 195.7 °C at 760 mmHg |
| Flash Point: | 69.8 °C |
| Solubility: | immiscible |
| Appearance: | clear light yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 9.23000 |
| LogP: | 2.31200 |
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Specification
The 2,3-Dimethylanisole is an organic compound with the formula C9H12O. The IUPAC name of this chemical is 1-methoxy-2,3-dimethylbenzene. With the CAS registry number 2944-49-2, it is also named as Benzene, 1-methoxy-2,3-dimethyl-. The product's categories are Aromatic Ethers; Anisoles, Alkyloxy Compounds & Phenylacetates; Ethers; Organic Building Blocks; Oxygen Compounds. Besides, it is a clear light yellow liquid, which should be stored in a cool and dry place.
Physical properties about 2,3-Dimethylanisole are: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): 3.05; (3)ACD/LogD (pH 7.4): 3.05; (4)#H bond acceptors: 1; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.495; (7)Molar Refractivity: 42.58 cm3; (8)Molar Volume: 145.9 cm3; (9)Polarizability: 16.88×10-24cm3; (10)Surface Tension: 29.1 dyne/cm; (11)Density: 0.932 g/cm3; (12)Flash Point: 69.8 °C; (13)Enthalpy of Vaporization: 41.42 kJ/mol; (14)Boiling Point: 195.7 °C at 760 mmHg; (15)Vapour Pressure: 0.582 mmHg at 25°C.
Preparation: this chemical can be prepared by sulfuric acid dimethyl ester and 2,3-dimethyl-phenol. This reaction will need reagent K2CO3.
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Uses of 2,3-Dimethylanisole: it can be used to produce 2-methoxy-6-methyl-benzaldehyde by heating. It will need reagent K2S2O8, CuSO4 and solvent acetonitrile, H2O. The yield is about 96%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and avoid contact with skin and eyes. 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: Cc1c(C)cccc1OC
(2)InChI: InChI=1/C9H12O/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3
(3)InChIKey: BLMBNEVGYRXFNA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H12O/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3
(5)Std. InChIKey: BLMBNEVGYRXFNA-UHFFFAOYSA-N