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| CAS No.: | 17356-19-3 |
|---|---|
| Name: | 1-Ethynylcyclopentanol |
| Article Data: | 39 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C7H10O |
| Molecular Weight: | 110.156 |
| Synonyms: | 1-Ethynyl-1-cyclopentanol;1-Ethynylcyclopentanol;NSC 134047;1-ethynylcyclopentanol;1-Ethynyl-1-cyclopentanol;cyclopentanol, 1-ethynyl-; |
| EINECS: | 241-385-7 |
| Density: | 1.01 g/cm3 |
| Melting Point: | 27 °C |
| Boiling Point: | 155.4 °C at 760 mmHg |
| Flash Point: | 48.9 °C |
| Solubility: | Insoluble in water. |
| Appearance: | clear colorless to yellow liquid after melting |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37 |
| Safety: | 16-26-27-36/37/39 |
| Transport Information: | UN 1986 3/PG 3 |
| PSA: | 20.23000 |
| LogP: | 0.92470 |
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Specification
The Cyclopentanol,1-ethynyl-, with the CAS registry number 17356-19-3 and EINECS registry number 241-385-7, has the systematic name of 1-ethynylcyclopentanol. It belongs to the following product categories: Alkynes; Organic Building Blocks; Terminal. And the molecular formula of the chemical is C7H10O.
The characteristics of Cyclopentanol,1-ethynyl- are as followings: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 4.52; (6)ACD/BCF (pH 7.4): 4.52; (7)ACD/KOC (pH 5.5): 102.48; (8)ACD/KOC (pH 7.4): 102.48; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 31.75 cm3; (15)Molar Volume: 108.3 cm3; (16)Polarizability: 12.58×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.01 g/cm3; (19)Flash Point: 48.9 °C; (20)Enthalpy of Vaporization: 45.67 kJ/mol; (21)Boiling Point: 155.4 °C at 760 mmHg; (22)Vapour Pressure: 1.1 mmHg at 25°C.
Preparation of Cyclopentanol,1-ethynyl-: This chemical can be prepared by cyclopentanone and ethyne. The reaction will need reagent KOH, and the menstruum dimethylsulfoxide. The reaction time is 1 hour with temperature of 15-17°C, and the yield is about 84%.
Uses of Cyclopentanol,1-ethynyl-: It can react with formaldehyde to produce 3-(1-hydroxycyclopentyl)propa-1,2-diene. This reaction will need reagent di-isopropylamine and cuprous bromide, and the menstruum dioxane. The reaction time is 4 hours with heating, and the yield is about 50%.
You should be cautious while dealing with this chemical. It is a kind of flammble chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Take off immediately all contaminated clothing; Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C#CC1(O)CCCC1
(2)InChI: InChI=1/C7H10O/c1-2-7(8)5-3-4-6-7/h1,8H,3-6H2
(3)InChIKey: LQMDOONLLAJAPZ-UHFFFAOYAX