ChemicalBook--->CAS DataBase List--->1579-40-4

1579-40-4

1579-40-4 Structure

1579-40-4 Structure
IdentificationMore
[Name]

4-Tolyl ether
[CAS]

1579-40-4
[Synonyms]

4,4'-DIMETHYLDIPHENYL ETHER
4,4'-DIMETHYLPHENYL ETHER
4-Tolyl ether
DIMETHYLDIPHENYL ETHER
DI-P-TOLYL ETHER
DITOLYL ETHER
DTE
P-TOLYL ETHER
1,1’-oxybis(4-methyl-benzen
1,1’-oxybis(4-methylbenzene)
1,1’-oxybis[4-methyl-benzen
Benzene, 1,1'-oxybis*4-methyl-
Benzene, 1,1'-oxybis[4-methyl-
Bis(4-methylphenyl) ether
bis(4-methylphenyl)ether
p-(p-Tolyloxy)toluene
Bis-(4-tolyl)-ether
[EINECS(EC#)]

216-423-0
[Molecular Formula]

C14H14O
[MDL Number]

MFCD00025979
[Molecular Weight]

198.26
[MOL File]

1579-40-4.mol
Questions And AnswerBack Directory
[Synthesis]

Synthesis of 1579-40-4

In a 10 mL sealed tube, p-cresol (1.2 mmol), cuprous iodide (0.05 mmol), ligand L-II-34 (0.1 mmol), and potassium phosphate (2.0 mmol) were added. The tube was purged with argon three times under vacuum. Then, p-methylchlorobenzene (1.0 mmol) and 1 mL DMSO were added. The reaction was stirred uniformly at 120 °C for 24 hours. After cooling, the contents of the sealed tube were washed with ethyl acetate and filtered through a silica gel and diatomaceous earth column. The filtrate was concentrated and then subjected to column chromatography to obtain the product 4-Tolyl ether.

Chemical PropertiesBack Directory
[Melting point ]

47-49 °C (lit.)
[Boiling point ]

285 °C (lit.)
[density ]

1.0074 (rough estimate)
[refractive index ]

1.5948 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Soluble in acetone, benzene, ether.
[form ]

Solid
[color ]

Pale yellow
[InChI]

InChI=1S/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3
[InChIKey]

YWYHGNUFMPSTTR-UHFFFAOYSA-N
[SMILES]

O(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1
[CAS DataBase Reference]

1579-40-4(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Methyl-4-(4-methylphenoxy)benzene(1579-40-4)
[EPA Substance Registry System]

1579-40-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,N
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

2
[RTECS ]

DA6625000
[TSCA ]

Yes
[HazardClass ]

9
[HS Code ]

29093090
Hazard InformationBack Directory
[Chemical Properties]

Di-p-tolyl ether is a white or colorless flaky or leafy crystals. Almost insoluble in water, soluble in alcohol, miscible with most perfume oils. Mild, green-rosy, somewhat woody odor of great tenacity.
[Uses]

Di-p-tolyl ether is used to form conformationally chiral molecules in the solid state, while the chirality of 1,3-dimethyl-2-phenoxybenzene arises from the formation of supramolecular helices.
[Application]

Suggested for use in soap and detergent perfumes, partly as a fixative, partly as a background note in Rose, Geranium, Lavender, New Mown Hay, Fougère and many other perfume types. It is sufficiently mild. not harsh, that it can be utilized in a great variety of fragrance types.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Tolyl ether(1579-40-4)MS
4-Tolyl ether(1579-40-4)1HNMR
4-Tolyl ether(1579-40-4)IR1
4-Tolyl ether(1579-40-4)IR2
4-Tolyl ether(1579-40-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1579-40-4(sigmaaldrich)
[TCI AMERICA]

Di-p-tolyl Ether,>98.0%(GC)(1579-40-4)
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