CAS No.111-66-0,1 -Octene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	111-66-0
Name:	1 -Octene
Article Data:	675
Cas Database

Formula:	C₈H₁₆
Molecular Weight:	112.215
Synonyms:	1-n-Octene;Dialen 8;Caprylene;Gulftene 8;Linealene 8;α-Octylene;NSC 8457;n-1-Octene;n-octene-1;α-Octene;
EINECS:	203-893-7
Density:	0.721 g/cm³
Melting Point:	-102 °C
Boiling Point:	120.946 °C at 760 mmHg
Flash Point:	21.111 °C
Solubility:	insoluble in water
Appearance:	colourless liquid
Hazard Symbols:	Xn, F, N
Risk Codes:	11-51/53-65
Safety:	16-60-61
Transport Information:	UN 3295 3/PG 2
PSA:	0.00000
LogP:	3.14280

Synthetic route

: 629-05-0
n-octyne

: 111-66-0
oct-1-ene

Conditions

Conditions	Yield
With zirconocene dichloride; tert-butylmagnesium chloride; water Product distribution; multistep reaction; other hydrozirconation agents; other substrates;	100%
With hydrogen In ethanol at 20℃; under 760.051 Torr; for 2.5h;	95%
With 2,6-bis[1-(2,6-diisopropylphenylimino)ethyl]pyridine cobalt(II) dichloride; diethoxymethylane; sodium triethylborohydride In neat (no solvent) at -78 - 40℃; for 1h;	95%

: 191331-78-9
(S)-2-octyl chloroformate

A: 13389-42-9
trans-2-Octene

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

C: 18651-57-5
(R)-2-chlorooctane

Conditions

Conditions	Yield
With hexabutylguanidinium chloride In neat (no solvent) for 10h;	A n/a B n/a C 100%

...Expand

: 111-87-5
octanol

: 111-66-0
oct-1-ene

Conditions

Conditions	Yield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In ethyl acetate at 0℃; for 3h;	97%
With aluminum oxide at 350℃;
With fired clay fragments at 450 - 500℃;

: 111-83-1
1-bromo-octane

: 111-66-0
oct-1-ene

Conditions

Conditions	Yield
With potassium hydroxide; triisopropylsilanol In N,N-dimethyl-formamide Ambient temperature;	97%
With 3-(tert-Butylamino)-1,1,1,5,5,5-hexakis(dimethylamino)-3-<amino>-1λ5,3λ5,5λ5-1,4-triphosphazadiene In tetrahydrofuran; xylene for 6h; Ambient temperature;	96%
With lithium diisopropylamide at 0℃; Kinetics;	87%

: 629-05-0
n-octyne

A: 111-65-9
octane

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

Conditions

Conditions	Yield
With hydrogen In hexane at 40℃; under 760.051 Torr; for 6h;	A 3% B 97%
With triisobutylaluminum; zirconocene dichloride In benzene for 0.333333h;	A 44% B 51%
With hydrogen In cyclohexane at 150℃; under 75007.5 Torr; for 48h; Autoclave; Glovebox;	A 43% B 47%

: 2-octyl chloroformate

A: 13389-42-9
trans-2-Octene

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

C: 628-61-5
2-chlorooctane

Conditions

Conditions	Yield
With hexabutylguanidinium chloride at 100℃; for 5h; Yields of byproduct given;	A n/a B n/a C 97%

...Expand

: 112-05-0
nonanoic acid

: 111-66-0
oct-1-ene

Conditions

Conditions	Yield
With nickel(II) iodide; 1,1,3,3-Tetramethyldisiloxane; copper(II) bis(trifluoromethanesulfonate); triphenylphosphine In neat (no solvent) at 190℃; for 16h; Reagent/catalyst; Sealed tube; Schlenk technique; Inert atmosphere;	94%
With 1,1'-bis-(diphenylphosphino)ferrocene; bis(1,5-cyclooctadiene)nickel (0); 2,2-dimethylpropanoic anhydride; potassium iodide at 180 - 190℃; for 2h; Inert atmosphere; Glovebox;	78%
With sodium persulfate; sulfuric acid; silver nitrate; copper(II) sulfate 1.) water, reflux, 2.) 5 min, reflux; Yield given. Multistep reaction;

: 592-41-6
1-hexene

: 111-65-9
octane

: 110-54-3
hexane

: 111-66-0
oct-1-ene

Conditions

Conditions	Yield
cobalt(II) naphthenate In nonane Product distribution / selectivity;	93.1%

...Expand

: 67-56-1
methanol

: 111-83-1
1-bromo-octane

A: 929-56-6
1-methoxyoctane

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

Conditions

Conditions	Yield
With potassium hydroxide; Aliquat 336 at 20℃; for 20h;	A 92% B 7%

...Expand

: 111-83-1
1-bromo-octane

: 917-58-8
potassium ethoxide

A: 929-61-3
ethyl octyl ether

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

Conditions

Conditions	Yield
With Aliquat 336 at 20℃; for 20h;	A 92% B 5%

...Expand

Raw Materials

78510-02-8

693-54-9

64-17-5

688-73-3

4145-75-9

111-87-5

111-86-4

144465-02-1

Downstream Products

504-20-1

Total:52 Page 1 of 2 1 2 Next>>

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Specification

The 1-Octene, with the CAS registry number 111-66-0, is also known as 1-Caprylene. It belongs to the product categories of 1-Olefins (GC Standard); Analytical Chemistry; Standard Materials for GC; N-OAnalytical Standards; Alpha Sort; Alphabetic; Volatiles/Semivolatiles; Acyclic; Alkenes; Organic Building Blocks; Hydrocarbons; NeatsAnalytical Standards; OGasoline, Diesel & Petroleum; Olefins; Substance classes. Its EINECS number is 203-893-7. This chemical's molecular formula is C₈H₁₆ and molecular weight is 112.21. What's more, its IUPAC name is oct-1-ene. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from oxides, acids, heat and fire. It is used in the area of organic synthesis. It can be used to prepare plasticizer and surface active agent. 1-Octene is a higher olefin, or alkene. It is one of the important linear alpha olefins in industry. The primary use of it is as a comonomer in production of polyethylene. Another significant use of it is for production of linear aldehyde via OXO Synthesis (hydroformylation) for later production of the short-chain fatty acid nonanoic acid, a carboxylic acid, by oxidation of an intermediate aldehyde or linear alcohols for plasticizer application by hydrogenation of the aldehyde.

Physical properties of 1-Octene are: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/BCF (pH 5.5): 1538.72; (5)ACD/KOC (pH 5.5): 6652.22; (6)#Freely Rotating Bonds: 5; (7)Index of Refraction: 1.413; (8)Molar Refractivity: 38.83 cm³; (9)Molar Volume: 155.6 cm³; (10)Surface Tension: 22.5 dyne/cm; (11)Density: 0.72 g/cm³; (12)Flash Point: 21.1 °C; (13)Enthalpy of Vaporization: 34.07 kJ/mol; (14)Boiling Point: 120.9 °C at 760 mmHg; (15)Vapour Pressure: 17.9 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-bromo-octane at the ambient temperature. This reaction will need reagent KOH, triisopropylsilanol and solvent dimethylformamide. The yield is about 97%.

Uses of 1-Octene: it can be used to produce 1-chloro-octan-2-ol by heatibng. It will need reagent chloramine T, H₂SO₄ and solvent acetone, H₂O. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. It is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. It is harmful as it may cause lung damage if swallowed. This material and its container must be disposed of as hazardous waste. It should be avoided releasing to the environment just refering to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCC=C
(2)InChI: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
(3)InChIKey: KWKAKUADMBZCLK-UHFFFAOYSA-N