1-Methyl-3-phenoxybenzene

Basic Information

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CAS Number

3586-14-9

Molecular Formula

C13H12O

Molecular Weight

184.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

160 ºC

Boiling Point

272°C

Refractive Index

n20/D 1.573(lit.)<br />n20/D 1.573

SMILES

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CC1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3

InChIKey

UDONPJKEOAWFGI-UHFFFAOYSA-N

LogP

3.787320000000002

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

161

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

CHEMBL3188057
m-Methylphenyl phenyl ether
Z104473802
BRN 2045714
DTXSID8027537
BCP31633
Permethrin Impurity A
W-106651
Ether, phenyl m-tolyl-
3-Phenoxytoluene
Tox21_200958
EN300-19424
UNII-2ZZI1Z67WR
3-Phenoxytoluene, >=98.0% (GC)
NS00022096
2ZZI1Z67WR
BENZENE, 1-METHYL-3-PHENOXY-
Phenyl 3-tolyl ether
NCGC00258511-01
FT-0629004
3-Methylphenyl phenyl ether
AKOS009031637
EINECS 222-716-4
m-Phenoxytoluene
DTXCID407537
3-Phenoxytoluene;1-Methyl-3-phenoxybenzene;3-Methyldiphenyl ether
MFCD00008531
Ether, phenyl m-tolyl
SCHEMBL441890
Meta-phenoxytoluene
NCGC00248887-01

MDL Number

MFCD00008531

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 1-Methyl-3-phenoxybenzene (CAS: 3586-14-9)?

1-Methyl-3-phenoxybenzene (CAS: 3586-14-9) is a crystalline solid with a molecular weight of approximately 194.22 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and dichloromethane. Chemically, it displays aromatic reactivity typical of benzene rings, including electrophilic aromatic substitution reactions.

How is 1-Methyl-3-phenoxybenzene (CAS: 3586-14-9) typically synthesized?

1-Methyl-3-phenoxybenzene is commonly synthesized via the Friedel-Crafts alkylation of o-phenoxybenzene with methyl halide in the presence of aluminum chloride as a catalyst. The reaction is conducted under mild conditions to achieve good yield and selectivity.

What industries use 1-Methyl-3-phenoxybenzene (CAS: 3586-14-9)?

1-Methyl-3-phenoxybenzene is used in the pharmaceutical industry for the synthesis of certain drugs, in polymer manufacturing as a precursor, and in the production of sensing materials, particularly for detecting organic vapors. Its aromatic structure makes it useful in various applications requiring specific chemical properties.

What precautions should be taken when handling 1-Methyl-3-phenoxybenzene (CAS: 3586-14-9)?

When handling 1-Methyl-3-phenoxybenzene (CAS: 3586-14-9), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store it in a cool, well-ventilated area away from sources of ignition. Use fume hoods during handling and disposal. Always refer to the safety data sheet (SDS) for specific safety guidelines.