CAS No.103-50-4,Benzyl ether Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	103-50-4
Name:	Benzyl ether
Article Data:	473
Cas Database

Formula:	C₁₄H₁₄O
Molecular Weight:	198.265
Synonyms:	Benzylether (8CI);1,1'-[Oxybis(methylene)]bis[benzene];BA (plasticizer);Benzyloxide;Dibenzyl ether;NSC 5931;Plastikator BA;Benzene,1,1'-[oxybis(methylene)]bis-;
EINECS:	203-118-2
Density:	1.047 g/cm³
Melting Point:	1.5-3.5 °C(lit.)
Boiling Point:	286.852 °C at 760 mmHg
Flash Point:	135 °C
Solubility:	insoluble in water, soluble in ethanol, ethyl ether, chloroform, acetone
Appearance:	colourless liquid
Hazard Symbols:	Xi,N
Risk Codes:	36/37/38-51/53
Safety:	23-61
Transport Information:	UN 3082 9/PG 3
PSA:	9.23000
LogP:	3.40340

Synthetic route

: 100-51-6
benzyl alcohol

: 103-50-4
dibenzyl ether

Conditions

Conditions	Yield
With copper(ll) bromide at 175℃; for 8h; Reagent/catalyst;	100%
With (NH4)2.8H0.9[ε-VMo9.4V2.6O40Bi2]·7.2H2O at 129.84℃; for 3h; Catalytic behavior; Reagent/catalyst;	97%
With benzyl bromide In neat (no solvent) at 120℃; for 24h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Sealed tube; Green chemistry;	97%

: 100-52-7
benzaldehyde

: 100-51-6
benzyl alcohol

: 103-50-4
dibenzyl ether

Conditions

Conditions	Yield
With triethylsilane; chloro-trimethyl-silane In dichloromethane at 20℃; for 3h;	100%
With triethylsilane; ytterbium(III) triflate In 1,2-dichloro-ethane for 4h; Reflux;	99%
With phenyltellurotrimethylsilane; zinc(II) iodide In benzene for 3h; Ambient temperature;	96%

: 100-39-0
benzyl bromide

: 103-50-4
dibenzyl ether

Conditions

Conditions	Yield
With sodium hydride; N,N-dimethyl-formamide at 20℃; for 24h;	99%
With 18-crown-6 ether; cesium fluoride; bis(tri-n-butyltin)oxide In acetonitrile at 55℃; for 8h;	71%
With aluminum oxide In neat (no solvent) at 25℃; for 25h;	39%

: 100-52-7
benzaldehyde

: 103-50-4
dibenzyl ether

Conditions

Conditions	Yield
With triethylsilane; trifluorormethanesulfonic acid In nitromethane at 20℃; for 0.0166667h;	99%
With triethylsilane; silver tetrafluoroborate at 20℃; for 0.0833333h; Catalytic behavior; Reagent/catalyst; Temperature; Green chemistry;	98%
With 1,1,3,3-Tetramethyldisiloxane; trimethylsilyl trifluoromethanesulfonate In benzene for 0.333333h; Heating;	97%

: 70396-63-3, 14313-18-9
1-(5-methylfuran-2-yl)pentan-1-ol

: 100-51-6
benzyl alcohol

A: 103-50-4
dibenzyl ether

B: 2-(1-Benzyloxy-pentyl)-5-methyl-furan

Conditions

Conditions	Yield
With magnesium(II) perchlorate In diethyl ether for 1h; Ambient temperature;	A n/a B 99%

...Expand

: 617-86-7
triethylsilane

: 100-52-7
benzaldehyde

A: 994-49-0
hexaethyl disiloxane

B: 103-50-4
dibenzyl ether

Conditions

Conditions	Yield
With uranyl(VI) triflate In dichloromethane at 20℃; for 1h; Reagent/catalyst; Solvent; Temperature;	A n/a B 99%
With aluminium(III) triflate at 20℃; Inert atmosphere; Sonication; neat (no solvent);	A n/a B 100 %Chromat.

...Expand

: 766-77-8
Dimethylphenylsilane

: 100-52-7
benzaldehyde

A: 103-50-4
dibenzyl ether

B: 56-33-7
1,1,3,3-tetramethyl-1,3-diphenyldisiloxane

Conditions

Conditions	Yield
With uranyl(VI) triflate In dichloromethane at 20℃; for 1h;	A 99% B n/a

...Expand

: 100-52-7
benzaldehyde

: 789-25-3
HSiPh3

A: 1829-40-9
hexaphenyldisiloxanne

B: 103-50-4
dibenzyl ether

Conditions

Conditions	Yield
With uranyl(VI) triflate In dichloromethane at 20℃; for 6h;	A n/a B 99%

...Expand

: 14642-79-6
benzyloxy-trimethylsilane

: 100-52-7
benzaldehyde

: 103-50-4
dibenzyl ether

Conditions

Conditions	Yield
With triethylsilane; iron(III) chloride In nitromethane at 20℃; for 0.166667h;	98%
With triethylsilane; trimethylsilyl trifluoromethanesulfonate In dichloromethane at -78 - -30℃;	96%
With triethylsilane; bismuth(III) bromide In acetonitrile for 0.0833333h; Ambient temperature;	84%
With triethylsilane; triphenylmethyl perchlorate In dichloromethane at 0℃;	72%

: 1228384-40-4
1-((benzyloxy)methyl)-4-iodobenzene

: 103-50-4
dibenzyl ether

Conditions

Conditions	Yield
With potassium tert-butylate; benzyl alcohol In N,N-dimethyl-formamide at 90℃; for 2h; Schlenk technique; Inert atmosphere;	97%

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

1. Introduction of Benzyl ether
Benzyl ether, with the CAS registry number 103-50-4, is also known as Dibenzyl ether. Its systematic name is benzene,1,1'-[oxybis(methylene)]bis-, its classification code is Skin / Eye Irritant. It should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from oxides, heat and fire. It can be not only used as plasticizer of gas chromatography stationary phase and nitrocellulose, but also used for the preparation of spice.

2. Properties of Benzyl ether
(1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.465; (4)ACD/LogD (pH 7.4): 3.465; (5)ACD/BCF (pH 5.5): 253.035; (6)ACD/BCF (pH 7.4): 253.035; (7)ACD/KOC (pH 5.5): 1827.273; (8)ACD/KOC (pH 7.4): 1827.273; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 62.035 cm³; (15)Molar Volume: 189.315 cm³; (16)Polarizability: 24.592×10^-24cm³; (17)Surface Tension: 39.86 dyne/cm; (18)Density: 1.047 g/cm³; (19)Flash Point: 135 °C; (20)Enthalpy of Vaporization: 50.489 kJ/mol; (21)Boiling Point: 286.852 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

3. Structure Descriptors of Benzyl ether
(1)SMILES: c1ccc(cc1)COCc2ccccc2
(2)Std. InChI: InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
(3)Std. InChIKey: MHDVGSVTJDSBDK-UHFFFAOYSA-N

4. Toxicity of Benzyl ether

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	4300mg/kg (4300mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toksikologicheskii Vestnik. Vol. (1), Pg. 34, 1997.
rat	LD50	oral	2500mg/kg (2500mg/kg)		Food and Cosmetics Toxicology. Vol. 16, Pg. 703, 1978.

5. Safety Information of Benzyl ether
Hazard Symbols: Irritant

Xi;

N
Risk Codes:
R36/37/38:Irritating to eyes, respiratory system and skin.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Description:
S23:Do not breathe vapour.
S61:Avoid release to the environment. Refer to special instructions /safety data sheets.

6. Preparation of Benzyl ether
Benzyl ether can be prepared by benzaldehyde at the ambient temperature. This reaction will need reagents bismuth bromide, triethylsilane and solvent acetonitrile with the reaction time of 5 min. The yield is about 84%.

Benzene,1,1'-[oxybis(methylene)]bis- can be prepared by benzaldehyde at the ambient temperature

7. Use of Benzyl ether
Benzyl ether can be used to produce iodomethyl-benzene at the ambient temperature. It will need reagent boron triiodide-N,N-diethylaniline complex and solvent benzene with the reaction time of 2.5 hours. The yield is about 88%.

Benzene,1,1'-[oxybis(methylene)]bis- can be used to produce iodomethyl-benzene at the ambient temperature

8. Other details of Benzyl ether
When you are using Benzyl ether, please be cautious about it as the following:
Benzyl ether is irritating to eyes, respiratory system and skin. It is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). You must avoid releasing it to the environment just refering to special instructions/safety data sheet.

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