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Methyl phenethyl ether

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Name

Methyl phenethyl ether

EINECS 222-619-7
CAS No. 3558-60-9 Density 0.938 g/cm3
PSA 9.23000 LogP 1.87550
Solubility 682mg/L at 25℃ Melting Point N/A
Formula C9H12O Boiling Point 172.3 °C at 760 mmHg
Molecular Weight 136.194 Flash Point 52.5 °C
Transport Information N/A Appearance colourless liquid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3558-60-9 ((2-Methoxyethyl)benzene) Hazard Symbols N/A
Synonyms

Ether,methyl phenethyl (6CI,7CI,8CI);1-Methoxy-2-phenylethane;2-Phenylethyl methylether;Kewda ether;Methyl 2-phenethyl ether;Methyl 2-phenylethyl ether;NSC 81229;Pandanol;b-Phenylethyl methyl ether;

Article Data 57

Methyl phenethyl ether Synthetic route

591-50-4

iodobenzene

6482-24-2

2-Bromoethyl methyl ether

3558-60-9

1-methoxy-2-phenylethane

Conditions
ConditionsYield
With triethanolamine; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; [Ni(2,2′:6′,2''-terpyridine)(pyridine)(CH3CN)2](PF6)2 In acetonitrile at 23 - 28℃; for 12h; Inert atmosphere; Sealed tube; Irradiation;96%
67-56-1

methanol

65275-36-7

(2-phenyl-ethyl) phenyl selenide

3558-60-9

1-methoxy-2-phenylethane

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid at 25℃; for 1h;95%
60-12-8

2-phenylethanol

77891-02-2

methyl trimethylamine phosphate

3558-60-9

1-methoxy-2-phenylethane

Conditions
ConditionsYield
With potassium chloride; sodium sulfite at 85℃; for 4h; Temperature;95%
67-56-1

methanol

103-63-9

1-phenyl-2-bromoethane

3558-60-9

1-methoxy-2-phenylethane

Conditions
ConditionsYield
With silver tetrafluoroborate; 1-(2-bromo-1,1-dimethoxyethyl)benzene at 25℃; for 4h;90%
(i) HgO, aq. HClO4, (ii) /BRN= 507487/; Multistep reaction;
With tetrafluoroboric acid; HgBF4
at 138 - 145℃; under 8250.7 Torr; for 1.8h; Irradiation;38 % Turnov.
at 140℃; under 7500.6 Torr; for 2h; Irradiation; Yield given;
60-12-8

2-phenylethanol

74-88-4

methyl iodide

3558-60-9

1-methoxy-2-phenylethane

Conditions
ConditionsYield
Stage #1: 2-phenylethanol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 1h;
Stage #2: methyl iodide In tetrahydrofuran; mineral oil at 0 - 20℃; for 72h;
86%
With aluminum oxide; potassium fluoride In acetonitrile for 43h;66%
With potassium hydroxide In dimethyl sulfoxide at 20℃; for 2h;65%
4747-15-3

1-(2-methoxyvinyl)benzene

3558-60-9

1-methoxy-2-phenylethane

Conditions
ConditionsYield
With ammonia; calcium In tetrahydrofuran at -33℃; for 2h;85%
101-41-7

benzeneacetic acid methyl ester

3558-60-9

1-methoxy-2-phenylethane

Conditions
ConditionsYield
With (PPh3)(CO)4MnC(O)CH3; phenylsilane In benzene-d6 for 2h;83%
With triethylsilane; trimethylsilyl trifluoromethanesulfonate; titanium tetrachloride In dichloromethane at 20℃; for 20h;40%
60-12-8

2-phenylethanol

77-78-1

dimethyl sulfate

3558-60-9

1-methoxy-2-phenylethane

Conditions
ConditionsYield
With sodium hydroxide; zirconium (benzyldiethylammoniomethylphosphonate chloride) phosphate In ethanol; water; Petroleum ether at 42℃; for 8h;81.3%
With sodium hydride In diethyl ether for 20h; Heating;60%
With sodium hydroxide; tetra-(n-butyl)ammonium iodide
60-12-8

2-phenylethanol

616-38-6

carbonic acid dimethyl ester

A

3558-60-9

1-methoxy-2-phenylethane

B

1796-66-3

methyl (2-phenyl)ethyl carbonate

Conditions
ConditionsYield
With Amberlyst 15 for 12h; Reflux;A 14%
B 79%
67-56-1

methanol

103-63-9

1-phenyl-2-bromoethane

A

100-42-5

styrene

B

3558-60-9

1-methoxy-2-phenylethane

Conditions
ConditionsYield
In methanol at 95℃; under 5475.4 Torr; for 0.0283333h; Irradiation;A 75%
B 9%

Methyl phenethyl ether Consensus Reports

Reported in EPA TSCA Inventory.

Methyl phenethyl ether Specification

The 2-Phenylethyl methyl ether, with the CAS registry number 3558-60-9 and EINECS registry number 222-619-7, has the systematic name of (2-methoxyethyl)benzene. It is a kind of colourless liquid. And the molecular formula of this chemical is C9H12O.

The physical properties of 2-Phenylethyl methyl ether are as following: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.97; (6)ACD/BCF (pH 7.4): 24.97; (7)ACD/KOC (pH 5.5): 348.3; (8)ACD/KOC (pH 7.4): 348.3; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 42.18 cm3; (15)Molar Volume: 145.1 cm3; (16)Polarizability: 16.72×10-24cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.938 g/cm3; (19)Flash Point: 52.5 °C; (20)Enthalpy of Vaporization: 39.19 kJ/mol; (21)Boiling Point: 172.3 °C at 760 mmHg; (22)Vapour Pressure: 1.79 mmHg at 25°C. 

Preparation of 2-Phenylethyl methyl ether: This chemical can be prepared by iodomethane and 2-phenyl-ethanol. The reaction will need reagent Na. The reaction time is 2 hours with heating, and the yield is about 42%.

2-Phenylethyl methyl ether can be prepared by iodomethane and 2-phenyl-ethanol

You should be cautious while dealing with this chemical. It is a kind of flammable chemcial, and it also irritates eyes, respiratory system and skin. In addition, if contact with water, it will liberate extremely flammable gases. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CCc1ccccc1)C
(2)InChI: InChI=1/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
(3)InChIKey: CQLYXIUHVFRXLT-UHFFFAOYAS

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3970mg/kg (3970mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 807, 1982.
rat LD50 oral 4100mg/kg (4100mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 807, 1982.

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