CAS No.629-82-3,Dioctyl ether Suppliers

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Basic Information

Molecular Structure:
CAS No.:	629-82-3
Name:	Dioctyl ether
Article Data:	97

Formula:	C₁₆H₃₄O
Molecular Weight:	242.445
Synonyms:	Octyl ether(6CI,7CI,8CI);1,1'-Oxybisoctane;Antar;Bis(1-octyl) ether;Caprylic ether;Cetiol OE;Cosmacol OE;Di-n-octyl ether;Dicaprylyl ether;Dioctyl ether;NSC28948;n-Octyl ether;
EINECS:	211-112-6
Density:	0.81 g/cm³
Melting Point:	-7.6 °C(lit.)
Boiling Point:	286.5 °C at 760 mmHg
Flash Point:	113.5 °C
Appearance:	colourless liquid
Safety:	23-24/25
PSA:	9.23000
LogP:	5.72400

Synthetic route

: 123-39-7
N-Methylformamide

A: 111-87-5
octanol

B: 629-82-3
di-n-octyl ether

C: 112-32-3
octyl formate

D: N-methylmethanimidamide hydroiodide

Conditions

Conditions	Yield
With 1-Iodooctane at 146℃;	A n/a B n/a C n/a D 100%

...Expand

: 123-39-7
N-Methylformamide

A: 111-87-5
octanol

B: 629-82-3
di-n-octyl ether

C: 112-32-3
octyl formate

D: N-methylmethanimidamide hydrobromide

Conditions

Conditions	Yield
With 1-bromo-octane at 146℃;	A n/a B n/a C n/a D 100%

...Expand

: 111-87-5
octanol

: 111-83-1
1-bromo-octane

: 629-82-3
di-n-octyl ether

Conditions

Conditions	Yield
With potassium hydroxide; aliquat 366 In neat (no solvent) at 20℃; for 2h;	98%
With potassium hydroxide; tetrabutylammomium bromide; potassium carbonate at 158℃; for 0.0152778h;	90%
With sodium In xylene

: 124-13-0
Octanal

: 629-82-3
di-n-octyl ether

Conditions

Conditions	Yield
With Dimethylphenylsilane In 1,1,2,2-tetrachloroethane at 100℃; for 3h;	98%
With hydrogen; Pd-C	93%
With triethylsilane; bismuth(III) bromide In acetonitrile for 2h; Ambient temperature;	88%
With Dimethylphenylsilane In 1,1,2,2-tetrachloroethane at 100℃; for 3h; chemoselective reaction;

: 111-87-5
octanol

: 124-13-0
Octanal

: 629-82-3
di-n-octyl ether

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal at 160℃; under 760 Torr; for 18h; Etherification;	97%
With hydrogen; palladium on activated charcoal at 160℃; for 10h; atmospheric pressure;	97%
With Pd/Al2O3; hydrogen; ethyl iodide at 60℃; under 15001.5 Torr; for 15h; Sealed tube;

: 111-87-5
octanol

: 629-82-3
di-n-octyl ether

Conditions

Conditions	Yield
With yttrium iron garnet In neat (no solvent) at 80℃; for 0.25h; Green chemistry;	93%
With C19H26IrN3O2(2+)*2C2F6NO4S2(1-); hydrogen In toluene at 160℃; for 20h; Reagent/catalyst; Temperature;	90%
With boron tri(hydrogen sulphate); silica gel at 60℃; for 0.116667h; Neat (no solvent);	87%

: 512-56-1
trimethyl phosphite

: 111-87-5
octanol

A: 929-56-6
1-methoxyoctane

B: 629-82-3
di-n-octyl ether

Conditions

Conditions	Yield
With bismuth(lll) trifluoromethanesulfonate In neat (no solvent) at 100℃; Reagent/catalyst;	A 91% B 6%

...Expand

: 111-87-5
octanol

: 100-51-6
benzyl alcohol

A: 629-82-3
di-n-octyl ether

B: 103-50-4
dibenzyl ether

C: 54852-64-1
((octyloxy)methyl)benzene

Conditions

Conditions	Yield
With copper acetylacetonate; carbon tetrabromide at 150℃; for 8h; Inert atmosphere; Sealed tube;	A 10% B 18% C 82%

...Expand

: 14246-16-3
trimethyl(oct-1-yloxy)silane

: 629-82-3
di-n-octyl ether

Conditions

Conditions	Yield
With sulfuric acid; silica gel In hexane at 20℃; for 0.25h;	80%
With Nafion-H(R) In hexane at 20℃; for 0.333333h;	80%
carbon-based solid acid In hexane at 20℃; for 0.133333h;	80%

: 111-85-3
1-Chlorooctane

A: 111-87-5
octanol

B: 463-11-6
1-Fluoro-octane

C: 111-66-0
oct-1-ene

D: 629-82-3
di-n-octyl ether

E: 112-32-3
octyl formate

Conditions

Conditions	Yield
With potassium fluoride; formamide; tetrabutylammomium bromide at 120℃; for 72h; Mechanism; Product distribution; vari. of proportion of reagents, time, also with chlorure de benzyl and chlorure de phenethyl;	A 8% B 72% C 4% D 4% E 4%
With potassium fluoride In formamide at 120℃; for 3h; Product distribution; effect of change water to formamide as solvent, reaction time, effect of molar ratio of KF/HCONH2;	A 8.0 % Chromat. B 72.3 % Chromat. C 4.5 % Chromat. D 4.3 % Chromat. E 3.7 % Chromat.

...Expand

Raw Materials

151-50-8

98-01-1

2306-88-9

616-38-6

64-17-5

77287-34-4

298-14-6

111-85-3

Downstream Products

2306-88-9

629-39-0

94-50-8

111-87-5

124-07-2

10022-28-3

4887-30-3

628-61-5

Total:86 Page 1 of 3 1 2 3 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The CAS registry number of Dioctyl ether is 629-82-3. In addition, the molecular formula is C₁₆H₃₄O and the molecular weight is 242.44. The systematic name is 1-(octyloxy)octane. What's more, it is a kind of colourless liquid and incompatible with strong oxidizing agents.

Physical properties about this chemical are: (1)ACD/LogP: 7.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.36; (4)ACD/LogD (pH 7.4): 7.36; (5)ACD/BCF (pH 5.5): 229972.92; (6)ACD/BCF (pH 7.4): 229972.92; (7)ACD/KOC (pH 5.5): 239586.97; (8)ACD/KOC (pH 7.4): 239586.97; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 14; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.434; (13)Molar Refractivity: 77.91 cm³; (14)Molar Volume: 299 cm³; (15)Polarizability: 30.88 ×10^-24cm³; (16)Surface Tension: 28 dyne/cm; (17)Density: 0.81 g/cm³; (18)Flash Point: 113.5 °C; (19)Enthalpy of Vaporization: 50.45 kJ/mol; (20)Boiling Point: 286.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00453 mmHg at 25°C.

Preparation of Dioctyl ether: it can be prepared by octan-1-ol. This reaction is a kind of dehydration reaction. It will need reagents SO₄/ZrO₂ and carbon monoxide, and solvent hexane. The reaction time is 18 hours at reaction temperature of 150 °C. The yield is about 80% with reaction pressure of 37503 Pa.

Uses of Dioctyl ether: it can be used to get 1-chloro-octane. This reaction will need reagent MoCl₅ and solvent CH₂Cl₂. The reaction time is 3 hours at reaction temperature of 80 °C. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
During using it, do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). And you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CCCCCCCC)CCCCCCCC
(2)Std.InChI: InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
(3)Std.InChIKey: NKJOXAZJBOMXID-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	1183mg/kg (1183mg/kg)		Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.