Name: 2-METHOXY-2-PHENYLETHANOL
SKU: 2979-22-8

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Basic Information

Molecular Structure:
CAS No.:	2979-22-8
Name:	2-METHOXY-2-PHENYLETHANOL
Article Data:	134

Formula:	C₉H₁₂O₂
Molecular Weight:	152.193
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;
EINECS:	221-030-2
Density:	1.061g/cm³
Boiling Point:	239.9 °C at 760 mmHg
Flash Point:	97.8 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-37/39
PSA:	29.46000
LogP:	1.36640

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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