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CAS No.: | 5557-88-0 |
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Name: | 2-Penten-4-yn-1-ol |
Molecular Structure: | |
Formula: | C5H6O |
Molecular Weight: | 82.102 |
Synonyms: | NSC 35152;Pent-2-en-4-yn-1-ol;(2E)-pent-2-en-4-yn-1-ol;trans-2-Penten-4-yn-1-ol;2-Penten-4-yn-1-ol, (2E)-; |
EINECS: | 226-922-5 |
Density: | 0.955 g/cm3 |
Boiling Point: | 158.9 °C at 760 mmHg |
Flash Point: | 64.2 °C |
Appearance: | Yellow to amber liquid. |
Hazard Symbols: | R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.; R36/38:Irritating to eyes and skin.; R45:Ma |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 20.23000 |
LogP: | 0.16810 |
The 2-Penten-4-yn-1-ol, with the CAS registry number 5557-88-0, is also known as Pent-2-en-4-yn-1-ol. Its EINECS number is 226-922-5. This chemical's molecular formula is C5H6O and molecular weight is 82.1. What's more, its systematic name is (2E)-pent-2-en-4-yn-1-ol.
Physical properties of 2-Penten-4-yn-1-ol are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.484; (8)Molar Refractivity: 24.63 cm3; (9)Molar Volume: 85.9 cm3; (10)Polarizability: 9.76×10-24 cm3; (11)Surface Tension: 38.4 dyne/cm; (12)Density: 0.955 g/cm3; (13)Flash Point: 64.2 °C; (14)Enthalpy of Vaporization: 46.07 kJ/mol; (15)Boiling Point: 158.9 °C at 760 mmHg; (16)Vapour Pressure: 0.908 mmHg at 25°C.
Uses of 2-Penten-4-yn-1-ol: it can be used to produce C10H12N2O2*ClH at the ambient temperature. The yield is about 78%.
When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C#C\C=C\CO
(2)InChI: InChI=1/C5H6O/c1-2-3-4-5-6/h1,3-4,6H,5H2/b4-3+
(3)InChIKey: TWJDCTNDUKKEMU-ONEGZZNKBA