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| CAS No.: | 1942-45-6 |
|---|---|
| Name: | 4-Octyne |
| Article Data: | 42 |
| Molecular Structure: | |
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| Formula: | C8H14 |
| Molecular Weight: | 110.199 |
| Synonyms: | Dipropylethyne;Dipropylacetylene;1,2-Dipropylacetylene; |
| EINECS: | 217-730-2 |
| Density: | 0.751 g/mL at 25 °C(lit.) |
| Melting Point: | -103 °C |
| Boiling Point: | 131.499 °C at 760 mmHg |
| Flash Point: | 29.444 °C |
| Solubility: | Sparingly soluble in water( 29.1 mg/L). |
| Appearance: | CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 10-36/37/38-65 |
| Safety: | 26-62 |
| Transport Information: | UN 3295 3 |
| PSA: | 0.00000 |
| LogP: | 2.59000 |
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Specification
The 4-Octyne, with the CAS registry number 1942-45-6, is also known as 1,2-Dipropylacetylene. It belongs to the product categories of Acetylenes; Acetylenic Hydrocarbons; Alkynes; Internal; Organic Building Blocks. Its EINECS registry number is 217-730-2. This chemical's molecular formula is C8H14 and molecular weight is 110.19676. Its IUPAC name is called oct-4-yne. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. What's more, the product should be sealed and stored in cool, dry and well-ventilated place.
Physical properties of 4-Octyne: (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 5.5): 3.508; (3)ACD/LogD (pH 7.4): 3.508; (4)ACD/BCF (pH 5.5): 272.929; (5)ACD/BCF (pH 7.4): 272.929; (6)ACD/KOC (pH 5.5): 1928.991; (7)ACD/KOC (pH 7.4): 1928.991; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.429; (10)Molar Refractivity: 37.117 cm3; (11)Molar Volume: 143.895 cm3; (12)Surface Tension: 27.19 dyne/cm; (13)Density: 0.766 g/cm3; (14)Flash Point: 29.444 °C; (15)Enthalpy of Vaporization: 36 kJ/mol; (16)Boiling Point: 131.499 °C at 760 mmHg; (17)Vapour Pressure: 11.343 mmHg at 25°C.
Uses of 4-Octyne: it can be used to produce octan-4-one at temperature of 100 °C. This reaction will need reagents H2O, Tf2NH and solvent dioxane with reaction time of 48 hours. The yield is about 64%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC#CCCC
(2)InChI: InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
(3)InChIKey: GZTNBKQTTZSQNS-UHFFFAOYSA-N