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| CAS No.: | 3524-75-2 |
|---|---|
| Name: | Allylcyclopentane |
| Molecular Structure: | |
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|
|
| Formula: | C8H14 |
| Molecular Weight: | 110.199 |
| Synonyms: | Cyclopentane,2-propenyl- (9CI);Cyclopentane, allyl- (6CI,7CI,8CI);1-Propene,3-cyclopentyl-;3-Cyclopentyl-1-propene;Cyclopentane,2-propen-1-yl-;NSC 74152; |
| EINECS: | 222-542-9 |
| Density: | 0.799 g/cm3 |
| Melting Point: | -111 °C |
| Boiling Point: | 125.9 °C at 760 mmHg |
| Flash Point: | 12.2 °C |
| Solubility: | insoluble in water |
| Appearance: | Clear pale yellow liquid |
| Hazard Symbols: |
 Xn, F
|
| Risk Codes: | 11-20/21/22 |
| Safety: | 3/7-9-16-29-33 |
| Transport Information: | UN 1993 |
| PSA: | 0.00000 |
| LogP: | 2.75270 |
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Specification
The Allylcyclopentane, with the CAS registry number 3524-75-2, is also known as 3-Cyclopentyl-1-propene. It belongs to the product categories of Monomer; Acyclic; Alkenes; Organic Building Blocks. Its EINECS number is 222-542-9. This chemical's molecular formula is C8H14 and molecular weight is 110.2. What's more, its systematic name is prop-2-en-1-ylcyclopentane.
Physical properties of Allylcyclopentane are: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/BCF (pH 5.5): 510.84; (5)ACD/KOC (pH 5.5): 3021.31; (6)#Freely Rotating Bonds: 2; (7)Index of Refraction: 1.445; (8)Molar Refractivity: 36.74 cm3; (9)Molar Volume: 137.8 cm3; (10)Surface Tension: 26.5 dyne/cm; (11)Density: 0.799 g/cm3; (12)Flash Point: 12.2 °C; (13)Enthalpy of Vaporization: 34.87 kJ/mol; (14)Boiling Point: 125.9 °C at 760 mmHg; (15)Vapour Pressure: 14.5 mmHg at 25°C.
Uses of Allylcyclopentane: it can be used to produce 2-[3-(4-fluoro-phenyl)-3-imidazol-1-ylmethyl-2-methyl-isoxazolidin-5-ylmethyl]-malonic acid diethyl ester by heating. It will need solvent toluene. The yield is about 20%.
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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 harmful by inhalation, in contact with skin and if swallowed. You must keep the container tightly closed in a cool and well-ventilated place. You should not empty it into drains. You need take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1)SMILES: C=C\CC1CCCC1
(2)InChI: InChI=1S/C8H14/c1-2-5-8-6-3-4-7-8/h2,8H,1,3-7H2
(3)InChIKey: NHIDGVQVYHCGEK-UHFFFAOYSA-N