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539-30-0

539-30-0 Structure

539-30-0 Structure
IdentificationBack Directory
[Name]

BENZYL ETHYL ETHER
[CAS]

539-30-0
[Synonyms]

(Ethoxymethyl)
ETHYL BENZYL ETHER
BENZYL ETHYL ETHER
Benzyl ethyl oxide
Ether, benzyl ethyl
ethoxymethyl-benzene
(ethoxymethyl)-benzen
(Ethoxymethyl)benzene
(ethoxymethyl)-Benzene
Benzene, (ethoxymethyl)-
Tofacitinib Impurity 168
Benzyl Alcohol Impurity F
Benzyl Alcohol Impurity 10
[EINECS(EC#)]

208-714-6
[Molecular Formula]

C9H12O
[MDL Number]

MFCD00039903
[MOL File]

539-30-0.mol
[Molecular Weight]

136.19
Chemical PropertiesBack Directory
[Appearance]

Colorless, oily liquid; aromatic odor. Volatile in steam; insoluble in water; miscible with alcohol, ether. Combustible.
[Melting point ]

2.5°C
[Boiling point ]

bp 186°; bp10 65°
[density ]

0.949
[FEMA ]

2144 | BENZYL ETHYL ETHER
[refractive index ]

nD20 1.4955
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[color ]

Colorless to light yellow
[Odor]

at 100.00 %. powerful fruity pineapple tropical
[Odor Type]

fruity
[JECFA Number]

1252
[Henry's Law Constant]

6.7×10-2 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
[Dielectric constant]

3.9(20℃)
[LogP]

2.16
[Uses]

Organic synthesis, flavoring.
[EPA Substance Registry System]

Benzyl ethyl ether (539-30-0)
Hazard InformationBack Directory
[Chemical Properties]

Colorless, oily liquid; aromatic odor. Volatile in steam; insoluble in water; miscible with alcohol, ether. Combustible.
[Hazard]

Narcotic in high concentration. May be skin irritant.
[Occurrence]

Reported found in cocoa, American cranberry, litchi (Litchi sinensis Sonn.) and eucalyptus oil.
[Definition]

ChEBI: Benzyl ethyl ether is a benzyl ether.
[Preparation]

From benzyl chloride and sodium ethylate in alcoholic solution.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 23, p. 1088, 1958 DOI: 10.1021/jo01101a029
Tetrahedron Letters, 37, p. 5159, 1996 DOI: 10.1016/0040-4039(96)01046-5
[Purification Methods]

Dry the ether with CaCl2 or NaOH, then fractionally distil it. [Letzinger & Pollart J Am Chem Soc 78 6079 1956, Beilstein 6 III 1454, 6 IV 2229.]
[storage]

Store at -20°C
Safety DataBack Directory
[RIDADR ]

UN1993
[TSCA ]

TSCA listed
[HazardClass ]

IRRITANT
[HS Code ]

2909309090
Spectrum DetailBack Directory
[Spectrum Detail]

BENZYL ETHYL ETHER(539-30-0)1HNMR
BENZYL ETHYL ETHER(539-30-0)13CNMR
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