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| CAS No.: | 20739-58-6 |
|---|---|
| Name: | 2-Octyn-1-ol |
| Molecular Structure: | |
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|
|
| Formula: | C8H14O |
| Molecular Weight: | 126.199 |
| Synonyms: | 2-Octynol;NSC 203012;Oct-2-yn-1-ol; |
| Density: | 0.892 g/cm3 |
| Melting Point: | -18°C |
| Boiling Point: | 152.5 °C at 760 mmHg |
| Flash Point: | 51.7 °C |
| Appearance: | Clear colorless to slightly yellow liquid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 20.23000 |
| LogP: | 1.56240 |
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Specification
The CAS register number of 2-Octyn-1-ol is 20739-58-6. It also can be called as Oct-2-yn-1-ol and the IUPAC name about this chemical is oct-2-yn-1-ol. The molecular formula about this chemical is C8H14O and the molecular weight is 126.20. It belongs to the following product categories, such as Alkynes; Internal; Organic Building Blocks and so on.
Physical properties about 2-Octyn-1-ol are: (1)ACD/LogP: 2.25; (2)ACD/LogD (pH 5.5): 2.25; (3)ACD/LogD (pH 7.4): 2.25; (4)ACD/BCF (pH 5.5): 30.24; (5)ACD/BCF (pH 7.4): 30.24; (6)ACD/KOC (pH 5.5): 399.39; (7)ACD/KOC (pH 7.4): 399.39; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.458; (13)Molar Refractivity: 38.65 cm3; (14)Molar Volume: 141.4 cm3; (15)Polarizability: 15.32x10-24cm3; (16)Surface Tension: 35.5 dyne/cm; (17)Enthalpy of Vaporization: 45.35 kJ/mol; (18)Boiling Point: 152.5 °C at 760 mmHg; (19)Vapour Pressure: 1.3 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-oct-2-ynyloxy-tetrahydro-pyran. This reaction will need reagent p-toluenesulfonic acid and solvent methanol. The yield is about 88%.
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Uses of 2-Octyn-1-ol: it can be used to produce 1-chloro-oct-2-yne. This reaction will need reagent diethyl ether, pyridine and PCl3.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: C(#CCO)CCCCC
(2)InChI: InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-5,8H2,1H3
(3)InChIKey: TTWYFVOMGMBZCF-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-5,8H2,1H3
(5)Std. InChIKey: TTWYFVOMGMBZCF-UHFFFAOYSA-N