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612-15-7

Basic Information
CAS No.: 612-15-7
Name: 2-METHOXYSTYRENE
Article Data: 85
Molecular Structure:
Molecular Structure of 612-15-7 (2-METHOXYSTYRENE)
Formula: C9H10O
Molecular Weight: 134.178
Synonyms: Anisole,o-vinyl- (6CI,7CI,8CI);1-Ethenyl-2-methoxybenzene;1-Methoxy-2-vinylbenzene;2-Methoxystyrene;2-Vinylanisole;o-Methoxystyrene;o-Vinylanisole;
EINECS: 210-294-4
Density: 0.962 g/cm3
Melting Point: 29°C
Boiling Point: 198.1 °C at 760 mmHg
Flash Point: 70.6 °C
Appearance: white or yellow dust
Risk Codes: 10-36/37/38
Safety: 16-26-36/37/39
PSA: 9.23000
LogP: 2.33820
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Specification

This chemical is called Benzene,1-ethenyl-2-methoxy-, and its systematic name is 1-ethenyl-2-methoxybenzene. With the molecular formula of C9H10O, its molecular weight is 134.18. The CAS registry number of the chemical is 612-15-7. Additionally, its product categories are Acyclic; Alkenes; Organic Building Blocks. Also, this chemical should be sealed in the airy and dry place at common temperature, away from light.

Other characteristics of Benzene,1-ethenyl-2-methoxy- can be summarised as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 66.97; (6)ACD/BCF (pH 7.4): 66.97; (7)ACD/KOC (pH 5.5): 705.6; (8)ACD/KOC (pH 7.4): 705.6; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.541; (13)Molar Refractivity: 43.85 cm3; (14)Molar Volume: 139.3 cm3; (15)Polarizability: 17.38×10-24cm3; (16)Surface Tension: 31 dyne/cm; (17)Density: 0.962 g/cm3; (18)Flash Point: 70.6 °C; (19)Enthalpy of Vaporization: 41.66 kJ/mol; (20)Boiling Point: 198.1 °C at 760 mmHg; (21)Vapour Pressure: 0.514 mmHg at 25°C.

Production method of this chemical: The Benzene,1-ethenyl-2-methoxy- could be obtained by the reactants of 2-methoxy-benzaldehyde and (trimethylsilanyl-methyl)- magnesium chloride. This reaction needs the solvent of diethyl ether. The yield is 89%. In addition, this reaction should be taken for 30 minutes at the ambient temperature.

The Benzene,1-ethenyl-2-methoxy- could be obtained by the reactants of 2-methoxy-benzaldehyde and (trimethylsilanyl-methyl)- magnesium chloride

Uses of this chemical: The Benzene,1-ethenyl-2-methoxy- could react with Butyllithium, and obtain the 1-n-hexyl-2-methoxybenzene. This reaction needs the reagent of Tmeda, and the solvents of Diethyl ether and Hexane. The yield is 68%. In addition, this reaction should be taken at the temperature of -78 °C.

The Benzene,1-ethenyl-2-methoxy- could react with Butyllithium, and obtain the 1-n-hexyl-2-methoxybenzene

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is flammable,so keep away from sources of ignition.

You can still convert the following datas into molecular structure:
1.SMILES: COc1ccccc1C=C
2.InChI: InChI=1/C9H10O/c1-3-8-6-4-5-7-9(8)10-2/h3-7H,1H2,2H3
3.InChIKey: SFBTTWXNCQVIEC-UHFFFAOYAW
4.Std. InChI: InChI=1S/C9H10O/c1-3-8-6-4-5-7-9(8)10-2/h3-7H,1H2,2H3
5.Std. InChIKey: SFBTTWXNCQVIEC-UHFFFAOYSA-N