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1-Methylcyclopentene (693-89-0)

Identification
Name:1-Methylcyclopentene
Synonyms:1-Cyclopentene, 1-methyl; 1-Methyl-1-cyclopentane; 1-Methylcyclopentene-1; Cyc1opentene,l-methyl-; cyclopentene,1-methyl-; 1-METHYL-1-CYCLOPENTENE; METHYL-CYCLOPENTENE
CAS:693-89-0
EINECS: 211-762-0
Molecular Formula: C6H10
Molecular Weight: 82.14
InChI: InChI=1/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3
Molecular Structure: (C6H10) 1-Cyclopentene, 1-methyl; 1-Methyl-1-cyclopentane; 1-Methylcyclopentene-1; Cyc1opentene,l-methyl-; c...
Properties
Transport:UN 3295
Density:0.78
Stability:Stable under normal temperatures and pressures.
Refractive index:1.431-1.433
Solubility:Insoluble
Appearance:clear,colorless liquid
Specification:

The IUPAC name of 1-Methylcyclopentene is 1-Methylcyclopentene. With the CAS registry number 693-89-0, it is also named as 1-Methyl-1-cyclopentene. The product's categories are Alkenes; Cyclic and Organic Building Blocks. Besides, it is clear colourless liquid, which should be stored in sealed containers and placed in a cool and dry place. And the place is away from oxidizing agents. In addition, its molecular formula is C6H10 and molecular weight is 82.14.

The other characteristics of this product can be summarized as: (1)EINECS: 211-762-0; (2)ACD/LogP: 2.92; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.92; (5)ACD/LogD (pH 7.4): 2.92; (6)ACD/BCF (pH 5.5): 97.68; (7)ACD/BCF (pH 7.4): 97.68; (8)ACD/KOC (pH 5.5): 924.51; (9)ACD/KOC (pH 7.4): 924.51; (10)H bond acceptors: 0; (11)H bond donors: 0; (12)Freely Rotating Bonds: 0; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 27.36 cm3; (15)Molar Volume: 99.9 cm3; (16)Surface Tension: 25.4 dyne/cm; (17)Density: 0.821 g/cm3; (18)Flash Point: 75-77 °C; (19)Melting Point: -142 °C; (20)Enthalpy of Vaporization: 30.61 kJ/mol; (21)Boiling Point: 78.4 °C at 760 mmHg; (22)Vapour Pressure: 103 mmHg at 25 °C.

Preparation of 1-Methylcyclopentene: this chemical can be prepared by Methylenecyclopentane.



This reaction needs liquid Sulphur dioxide at ambient temperature. The yield is 99 %.

Uses of 1-Methylcyclopentene: this chemical is used in organic synthesis. Furthermore, it can react with Diiodomethane to get 1-Methylbicyclo[3.1.0]hexan.



This reaction needs ZnEt2 and Cyclohexane at ambient temperature. The reaction time is 5 days. The yield is 86 %.

When you are using this chemical, please be cautious about it as the following: 1-Methylcyclopentene is highly flammable. Please keep away from sources of ignition. Moreover, it is harmful that may cause lung damage if swallowed. Please keep container tightly closed. Additionally, if swallowed, do not induce vomitting, please seek medical advice immediately and show this container or label.

People can use the following data to convert to the molecule structure.
(1)SMILES:C\1=C(/C)CCC/1
(2)InChI:InChI=1/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3
(3)InChIKey:ATQUFXWBVZUTKO-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3
(5)Std. InChIKey:ATQUFXWBVZUTKO-UHFFFAOYSA-N

Packinggroup: II
HS Code: 29021990
Storage Temperature: Flammables area
Safety Data
Hazard Symbols F:Flammable Xn:Harmful