3D Mol Similar

Cyclopentene

: Iupac Name：cyclopentene; CAS No.: 142-29-0; Molecular Weight：68.12; Modify Date.: 2022-11-05 05:47; Introduction: Cyclopentene, with the chemical formula C5H8 and CAS registry number 142-29-0, is a cyclic hydrocarbon characterized by its five-carbon ring structure. It is a colorless liquid with a strong odor, less dense than water and insoluble in water. Flash point below 0°F. Vapors heavier than air. Inhalation of high concentrations may be narcotic. commonly used as a precursor in organic synthesis, particularly in the production of pharmaceuticals, fragrances, and agricultural chemicals. Cyclopentene serves as a building block for various organic compounds due to its reactivity in diverse chemical reactions, including addition, oxidation, and polymerization processes. This compound is flammable and should be handled with care in laboratory settings. Cyclopentene exhibits potential applications in the manufacturing of plastics, elastomers, and solvents, contributing to its significance in industrial chemistry and material science. View more+

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1. Names and Identifiers

: 1.1 Name; Cyclopentene; 1.2 Synonyms; 1-Cyclopentene Cyclopenten CYCLOPENTENE, STAB. Cyclopentene, tech. NSC 5160 NSC5160

1.3 CAS No.: 142-29-0

1.4 CID: 8882

1.5 EINECS(EC#): 205-532-9

1.6 Molecular Formula: C5H8 (isomer)

1.7 Inchi: InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2

1.8 InChIkey: LPIQUOYDBNQMRZ-UHFFFAOYSA-N

1.9 Canonical Smiles: C1CC=CC1

1.10 Isomers Smiles: C1CC=CC1

2. Properties

2.1 Density: 0.771 g/mL at 25 °C(lit.)

2.1 Melting point: ?135 °C(lit.)

2.1 Boiling point: 44-46 °C(lit.)

2.1 Refractive index: n20/D 1.421(lit.)

2.1 Flash Point: <?30 °F

2.1 Precise Quality: 68.06260

2.1 PSA: 0.00000

2.1 logP: 1.72650

2.1 Solubility: water: soluble0.535g/L at 25°C

2.2 Appearance: colourless liquid with a petrol-like odour

2.3 Storage: Keep Cold.

2.4 Chemical Properties: Cyclopentene is a highly flammable liquid with a low flashpoint. It reacts readily with oxidizing agents.

2.5 Physical Properties: Clear, colorless, watery, very flammable liquid with a characteristic sweet, petroleum-like odor.

2.6 Color/Form: Colorless

2.7 Water Solubility: immiscible

2.8 Stability: Stable. Highly flammable. Incompatible with strong oxidizing agents. Store cold.

2.9 StorageTemp: 0-6°C

3. Use and Manufacturing

3.1 Definition: ChEBI: A cycloalkene that is cyclopentane having one endocyclic double bond.

3.2 Produe Method: Cyclopentene is present in coal tar, cigarette smoke, andautomobile emissions. It is also detected in air close toforests and as a decomposition product of polypropylene. Itis used as a raw material in chemical synthesis.

3.3 Purification Methods: Free cyclopentene from hydroperoxide by refluxing with cupric stearate. Fractionally distil it from Na. It can be chromatographed on a Dowex 710-Chromosorb W GLC column. Methods for cyclohexene should be applicable here. Also, it has been washed with 1M NaOH solution followed by water. It was dried over anhydrous Na2SO4, distilled over powdered NaOH under nitrogen, and passed through neutral alumina before use [Woon et al. J Am Chem Soc 108 7990 1986]. It was distilled in a dry nitrogen atmosphere from powdered fused NaOH through a Vigreux column (p 11), and then passed through activated neutral alumina before use [Wong et al. J Am Chem Soc 109 3428 1987]. [Beilstein 5 IV 209.]

3.4 Usage: Cyclopentene is a cycloalkene that is cyclopentane having one endocyclic double bond. Vapors heavier than air. Inhalation of high concentrations may be narcotic. Used to make rubber and plastics.Neopentyl phosphine ligand catalyzed Heck coupling of cyclopentene has been reported. Mechanism of reaction of ground state oxygen atom with cyclopentene has been investigated. Homopolymerization of cyclopentene has been reported. Photocatalytic oxidation of cyclopentene over various titanium(IV) oxide catalyst has been reported.Cyclopentene was used to investigate the [2+2] cycloaddition of diamond (001) surfaces with alkene.

4. Safety and Handling

4.1 Hazard Codes: F,Xn

4.1 Risk Statements: 11-21/22-36/37/38-65-67-52/53-38

4.1 Safety Statements: 9-16-26-33-36-62-61-36/37

4.1 Packing Group: II

4.1 Fire Hazard: Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flashback. Explosion may occur under fire condition.

4.2 Hazard Class: 3

4.2 RIDADR: UN 2246 3/PG 2

4.2 Safety Profile: Moderately toxic by ingestion and skin contact. A very dangerous fire hazard when exposed to flame or heat; can react with oxidning materials. Keep away from heat and open flame. To fight fire, use foam, CO2, dry chemical.

4.3 WGK Germany: 3

4.3 RTECS: GY5950000

4.3 Report: Reported in EPA TSCA Inventory.

4.4 Safety: Moderately toxic by ingestion and skin contact. A very dangerous fire hazard when exposed to flame or heat; can react with oxidizing materials. Keep away from heat and open flame. To fight fire, use foam, CO₂, dry chemical.
Hazard Codes: F,Xn
Risk Statements: 11-21/22-36/37/38-65-67-52/53
R11:Highly flammable.
R21/22:Harmful in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R65:Harmful: may cause lung damage if swallowed.
R67:Vapours may cause drowsiness and dizziness.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 9-16-26-33-36-62-61-36/37
S9:Keep container in a well-ventilated place.
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S33:Take precautionary measures against static discharges.
S36:Wear suitable protective clothing.
S62:If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 2246 3/PG 2
WGK Germany: 3
RTECS: GY5950000
F: 10-23
HazardClass: 3
PackingGroup: II; View all

4.5 Specification: The Cas Register Number of Cyclopentene is 142-29-0 .The chemical synonyms of Cyclopentene (CAS NO.142-29-0) are 3-cyclopentene cyclopentene ; Cyclopentene ; 1-Cyclopentene ; Cyclopent-1-ene .

4.6 Toxicity

1.		orl-rat LD50:1656 mg/kg		AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470.
2.		skn-rbt LD50:1231 mg/kg		AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Acute toxicity - Oral, Category 4

Aspiration hazard, Category 1

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H225 Highly flammable liquid and vapour H302 Harmful if swallowed H304 May be fatal if swallowed and enters airways H312 Harmful in contact with skin H315 Causes skin irritation
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P331 Do NOT induce vomiting. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P332+P313 If skin irritation occurs: Get medical advice/attention.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

IR : liquid film

Mass

Mass spectrum (electron ionization)

UV/Visible spectrum

7. Synthesis Route

142-29-0Total: 151 Synthesis Route

96-41-3 75 Suppliers

142-29-0 64 Suppliers

Literatures:
Chemische Berichte, , vol. 76, p. 27,48 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 152, p. 882 Annales de Chimie (Cachan, France), , vol. <8> 26, p. 44,47
Yield: ~%

96-41-3 75 Suppliers

930-28-9 69 Suppliers

142-29-0 64 Suppliers

Literatures:
Munyemana, Francois; Frisque-Hesbain, Anne-Marie; Devos, Alain; Ghosez, Leon Tetrahedron Letters, 1989 , vol. 30, # 23 p. 3077 - 3080
Yield: ~82%

96-41-3 75 Suppliers

1481-36-3 9 Suppliers

142-29-0 64 Suppliers

Literatures:
Journal of Fluorine Chemistry, , vol. 109, # 1 p. 25 - 31
Yield: null

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8. Precursor and Product

precursor:

504-60-9

137-43-9

96-41-3

533-75-5

876-05-1

930-28-9

371-19-7

120-92-3

542-92-7

285-67-6

694-28-0

499-44-5

124-04-9

693-86-7

287-92-3

185-94-4

View all

product :

137-43-9

120-92-3

542-92-7

285-67-6

108-85-0

287-92-3

111-30-8

488-86-8

872-53-7

4065-92-3

5057-98-7

703-13-9

5057-99-8

96-41-3

5746-02-1

876-05-1

111-29-5

496-11-7

930-28-9

110-94-1

694-28-0

1481-36-3

285-75-6

638-37-9

280-21-7

View all

9. Other Information

9.0 Usage: Cyclopentene is used in the production of cyclopentene oxide, ketamine, cyclopentyl phenol (disinfectant), aldehyde and cyclopentene glycol. It acts as a monomer and is utilized for the synthesis of plastics and in various chemical syntheses. It is also used in the investigation of [2+2] cycloaddition of diamond (001) surfaces with alkene.

9.1 Usage: Cyclopentene is used in organic synthesis for cross-linking resin. It is used as an intermediate in Industries such as Agrochemical, Dyestuff, Pharmaceutical, syntheses material, Chemical. It is used as a monomer for synthesis of plastics and rubber. It is also used for the synthesis of various chemicals, such as 1,1,2-Trimethylcyclohexane.

10. Computational chemical data

Molecular Weight: 68.12g/mol
Molecular Formula: C₅H₈
Compound Is Canonicalized: True
XLogP3-AA: 1.9
Exact Mass: 68.062600255
Monoisotopic Mass: 68.062600255
Complexity: 38
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Topological Polar Surface Area: 0
Heavy Atom Count: 5
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBgAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAAAAAAAAACAACBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Question & Answer

What is Cyclopentene and How is it Used? Feb 26 2023
Cyclopentene is an organic compound with the molecular formula C5H8. It is a colorless liquid with a gasoline-like odor. This compound serves as an important intermediate for the production of high-va..
What are the emergency spill handling and first aid measures for Cyclopentene? Feb 15 2023
Cyclopentene is an organic compound that is a colorless liquid. It is insoluble in water but soluble in organic solvents such as ether and ethanol. It can be used as a single solvent or mixed with oth..
What is the synthesis and application of 1-(2,2-difluorobenzo[D][1,3]dioxa Cyclopentene-5-yl)cyclopropanecarboxylic acid? Nov 22 2022
Introduction1-(2,2-Difluorobenzo[D][1,3]dioxaCyclopentene-5-yl)cyclopropanecarboxylic acid is a chemical that has developed rapidly in recent years. A new type of feed additive, which is a kind of aci..
What are the physical and chemical properties of Cyclopentene? Jul 11 2022
Chemistry plays a vital role in our daily lives, and when it comes to chemistry, various chemical substances cannot be ignored. Many of these substances belong to organic compounds, such as Cyclopente..

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Cyclopentene