CAS No.109-67-1,1-Pentene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	109-67-1
Name:	1-Pentene
Article Data:	366

Formula:	C₅H₁₀
Molecular Weight:	70.1344
Synonyms:	1-Methyl-3-butene;Propylethylene;a-n-Amylene;
EINECS:	203-694-5
Density:	0.661 g/cm³
Melting Point:	-165 °C
Boiling Point:	29.929 °C at 760 mmHg
Flash Point:	-28 °C
Solubility:	0.15 g/L (20 °C) in water
Appearance:	colourless liquid
Hazard Symbols:	F+, Xn, F, Xi
Risk Codes:	12-52/53-65
Safety:	61-62-16
Transport Information:	UN 1108 3/PG 1
PSA:	0.00000
LogP:	1.97250

Synthetic route

: 627-19-0
1-Pentyne

: 109-67-1
1-penten

Conditions

Conditions	Yield
With hydrogen In methanol at 20℃; under 760.051 Torr; for 4h; Green chemistry;	96%
With hydrogen In methanol under 760.051 Torr; for 5h;	96%
With piperazine; hydrogen In ethanol at 80℃; under 4500.45 Torr; for 20h;	88%

: 20449-21-2
2-(but-3-en-1-yl)-2-methyl-1,3-dioxolane

: 592-99-4, 7642-15-1, 14850-23-8
4-octene

A: 109-67-1
1-penten

B: 2-((E)-Hept-3-enyl)-2-methyl-[1,3]dioxolane

Conditions

Conditions	Yield
aluminum oxide; tetramethylstannane; rhenium(VII) oxide In chlorobenzene at 25℃; for 3h; Yields of byproduct given;	A n/a B 88.6%

...Expand

: 142-62-1
hexanoic acid

A: 124-18-5
decane

B: 109-67-1
1-penten

C: 109-66-0
pentane

D: 109-68-2
2-pentene

Conditions

Conditions	Yield
With potassium hydroxide In water pH=5.4 - 9.4; Concentration; pH-value; Kolbe Electrolysis; Electrochemical reaction;	A 82% B 44% C 30% D 26%
With potassium hydroxide In water pH=5.8 - 9; Kolbe Electrolysis; Electrochemical reaction;	A 39% B 14% C 5% D 7%

...Expand

: 592-99-4, 7642-15-1, 14850-23-8
4-octene

A: 14850-23-8
trans-4-Octene

B: 109-67-1
1-penten

Conditions

Conditions	Yield
With ethene; Mo(NiPrPh)-(CHCMe2Ph)(Me2Pyrr)(OBitet) In benzene-d6 at 22℃; under 3040.2 Torr; for 0.25h; Inert atmosphere; stereoselective reaction;	A 79% B n/a

: 627-19-0
1-Pentyne

A: 627-20-3
(Z)-pent-2-ene

B: 646-04-8
(E)-pent-2-ene

C: 109-67-1
1-penten

D: 109-66-0
pentane

Conditions

Conditions	Yield
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.3h; Product distribution; Ambient temperature; various time;	A n/a B n/a C 78.5% D 2.4%
With [Ru4(μ-H)4(CO)12] In benzene at 25℃; for 23h; Irradiation;	A 10% B 13% C 73% D 4%
With [Ru4(μ-H)4(CO)12]; hydrogen In benzene at 25℃; under 517.1 Torr; for 24h; Irradiation;	A 13% B 10% C 66% D 11%

...Expand

: 1,1-dicarbonyl-1-(η5-cyclopentadienyl)rhenacyclohexane

A: tricarbonylcyclopentadienylrhenium

B: 109-67-1
1-penten

C: 287-92-3
Cyclopentane

Conditions

Conditions	Yield
With carbon monoxide In (2)H8-toluene heated to 150°C for 2.5 h under CO; cooled to 10°C; NMR, GC, GC-MS;	A 78% B 54% C 13%

...Expand

: 627-21-4
2-Pentyne

A: 627-20-3
(Z)-pent-2-ene

B: 646-04-8
(E)-pent-2-ene

C: 109-67-1
1-penten

D: 109-66-0
pentane

Conditions

Conditions	Yield
With [Ru4(μ-H)4(CO)12] In benzene at 25℃; for 23h; Irradiation;	A 75% B 1% C 24% D n/a
With [Ru4(μ-H)4(CO)12]; hydrogen In benzene at 25℃; under 517.1 Torr; for 24h; Irradiation;	A 19% B 73% C 2% D 6%
With [Ru4(μ-H)4(CO)12]; hydrogen In benzene at 25℃; for 24h; Irradiation;	A 19% B 73% C 2% D 6%
With hydrogen; dodecacarbonyltetrarhodium(0) at 80℃; under 760 Torr; for 3h; Product distribution; other alkynes, other carbonyl-rhodium catalyst system;	A 64 % Chromat. B 17 % Chromat. C 2 % Chromat. D 12 % Chromat.

...Expand

: 67969-82-8
tetrafluoroboric acid diethyl ether

: {(C5H5)2(CO)3Fe2(CHCHCH2CH2CH3)}(1+)*PF6(1-)={(C5H5)2(CO)3Fe2(CHCHCH2CH2CH3)}PF6

: lithium iodide

A: 12078-28-3, 38979-86-1
dicarbonylcyclopentadienyliodoiron(II)

B: 109-67-1
1-penten

Conditions

Conditions	Yield
With carbon monoxide In dichloromethane-d2 (Cp2(CO)3Fe2(CHCHCH2CH2CH3))PF6, LiI, HBF4*Et2O, and CD2Cl2 sealed in NMR tube ubder 1 atm of CO, slow reaction at 35°C monitored by NMR for 10 days; 1-pentene determined by gas chromy., Cp(CO)2FeI isolated by Et2O extn. of residue;	A 48% B 72%

...Expand

: 110-53-2
1-Bromopentane

: 95903-96-1
triethylbenzylammonium ethanolate

A: 17952-11-3
1-ethoxypentane

B: 109-67-1
1-penten

Conditions

Conditions	Yield
at 20 - 25℃; for 1h;	A 67% B 6%

...Expand

: 110-53-2
1-Bromopentane

A: 17952-11-3
1-ethoxypentane

B: 109-67-1
1-penten

Conditions

Conditions	Yield
With triethylbenzylammonium ethanolate at 20 - 25℃; for 1h;	A 67% B 6%

Raw Materials

109-72-8

64-19-7

20064-27-1

75-09-2

109-89-7

627-21-4

590-18-1

Downstream Products

629-08-3

75-57-0

74-84-0

7783-06-4

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Specification

The IUPAC name of 1-Pentene is pent-1-ene. With the CAS registry number 109-67-1, it is also named as Propylethylene. The product's categories are Industrial / Fine Chemicals; 1-Olefins (GC Standard); Analytical Chemistry; Standard Materials for GC; Acyclic; Alkenes; Organic Building Blocks; Ketones Gasoline, Diesel & Petroleum; Alpha Sort; Analytical Standards; Chemical Class; OlefinsVolatiles / Semivolatiles; PA - PEN; P-SAlphabetic; Substance Classes. It is colorless liquid with an odor of gasoline that is insoluble in water, soluble in alcohol, ether and other organic solvents. What's more, this chemical may react vigorously with strong oxidizing agents and may react exothermically with reducing agents to release hydrogen gas. Additionally, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.846; (4)ACD/LogD (pH 7.4): 2.846; (5)ACD/BCF (pH 5.5): 85.729; (6)ACD/BCF (pH 7.4): 85.729; (7)ACD/KOC (pH 5.5): 842.061; (8)ACD/KOC (pH 7.4): 842.061; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.386; (13)Molar Refractivity: 24.939 cm³; (14)Molar Volume: 106.163 cm³; (15)Polarizability: 9.886×10^-24 cm³; (16)Surface Tension: 18.469 dyne/cm; (17)Enthalpy of Vaporization: 25.2 kJ/mol; (18)Vapour Pressure: 637.159 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 70.07825; (21)MonoIsotopic Mass: 70.07825; (22)Heavy Atom Count: 5; (23)Complexity: 21.2.

Preparation of 1-Pentene: It is made as a byproduct of catalytic or thermal cracking of petroleum, or during production of ethylene and propylene via thermal cracking of hydrocarbon fractions.

Uses of 1-Pentene: It is not only used as a additive of high-octane gasoline, but also used as raw material of organic synthesis. And it is also used to produce fungicide Propiconazole. In addition, this chemical can react with p-toluenesulfinate to get 1-(2-iodo-pentane-1-sulfonyl)-4-methyl-benzene. This reaction which is iodosulfonization needs reagent iodine and solvent H₂O, ethyl acetate at temperature of 20 °C. The reaction time is 80 min. The yield is 100%.

When you are using this chemical, please be cautious about it as the following:
It is extremely flammable, so people should keep it away from sources of ignition. It is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. And it also may cause lung damage if swallowed. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. Avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
1. SMILES:CCCC=C
2. InChI:InChI=1/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3
3. InChIKey:YWAKXRMUMFPDSH-UHFFFAOYAJ

The following are the toxicity data which has been tested.

1.	ihl-rat LC50:175,000 mg/m³/4H	VCVGH* Vrednie chemichescie veshestva, galogenproisvodnie uglevodorodov .Bandman A.L. et al.,Chimia.: 1990,56.
2.	ihl-rat LC50 110,000 mg/m³/4H	VCVGH* Vrednie chemichescie veshestva, galogenproisvodnie uglevodorodov .Bandman A.L. et al.,Chimia.: 1990,56.
3.	ihl-rat LV50:280,000 mg/m³/4H	VCVGH* Vrednie chemichescie veshestva, galogenproisvodnie uglevodorodov .Bandman A.L. et al.,Chimia.: 1990,56.