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Benzeneethanol, β-methoxy-

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Name

Benzeneethanol, β-methoxy-

EINECS 221-030-2
CAS No. 2979-22-8 Density 1.061g/cm3
PSA 29.46000 LogP 1.36640
Solubility N/A Melting Point N/A
Formula C9H12O2 Boiling Point 239.9 °C at 760 mmHg
Molecular Weight 152.193 Flash Point 97.8 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 2979-22-8 (2-METHOXY-2-PHENYLETHANOL) Hazard Symbols HarmfulXn
Synonyms

Phenethylalcohol, b-methoxy- (6CI,7CI,8CI);(?à)-2-Methoxy-2-phenylethanol;2-Hydroxy-1-methoxy-1-phenylethane;2-Methoxy-2-phenylethanol;2-Phenyl-2-methoxyethanol;b-Methoxybenzeneethanol;b-Methoxyphenethyl alcohol;

Article Data 134

Benzeneethanol, β-methoxy- Specification

The Benzeneethanol, β-methoxy- is an organic compound with the formula C9H12O2. The IUPAC name of this chemical is 2-methoxy-2-phenylethanol. With the CAS registry number 2979-22-8, it is also named as 2-Methoxy-2-Phenylethan-1-Ol. The product's categories are Alcohols; C9 to C30; Oxygen Compounds. Besides, it should be stored in a closed cool and dry place.

Physical properties about Benzeneethanol, β-methoxy- are: (1)ACD/LogP: 1.21; (2)ACD/LogD (pH 5.5): 1.21; (3)ACD/LogD (pH 7.4): 1.21; (4)ACD/BCF (pH 5.5): 4.91; (5)ACD/BCF (pH 7.4): 4.91; (6)ACD/KOC (pH 5.5): 108.77; (7)ACD/KOC (pH 7.4): 108.77; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 43.71 cm3; (14)Molar Volume: 143.3 cm3; (15)Polarizability: 17.33×10-24cm3; (16)Surface Tension: 39.1 dyne/cm; (17)Density: 1.061 g/cm3; (18)Flash Point: 97.8 °C; (19)Enthalpy of Vaporization: 50.39 kJ/mol; (20)Boiling Point: 239.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0212 mmHg at 25°C.

Preparation of Benzeneethanol, β-methoxy-: this chemical can be prepared by phenyl-oxirane and methanol. This reaction will need reagent I2/aminopropyl silica gel. The reaction time is 10 min with reaction temperature of 25 °C. The yield is about 95%.

Benzeneethanol, β-methoxy- can be prepared by phenyl-oxirane and methanol

Uses of Benzeneethanol, β-methoxy-: it can be used to produce 1-methoxy-1-phenyl-2-(toluene-4-sulfonyloxy)-ethane at temperature of 20 °C. This reaction is a kind of Martinelli catalytic sulfonylation. It will need reagent triethylamine and solvent CH2Cl2 with reaction time of 23 hours. The yield is about 84%.

Benzeneethanol, β-methoxy- and toluene-4-sulfonyl chloride can be used to produce 1-methoxy-1-phenyl-2-(toluene-4-sulfonyloxy)-ethane

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C(c1ccccc1)CO
(2)InChI: InChI=1/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
(3)InChIKey: JDTUPLBMGDDPJS-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
(5)Std. InChIKey: JDTUPLBMGDDPJS-UHFFFAOYSA-N

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