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2-Penten-4-yn-1-ol

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Name

2-Penten-4-yn-1-ol

EINECS 226-922-5
CAS No. 5557-88-0 Density 0.955 g/cm3
PSA 20.23000 LogP 0.16810
Solubility N/A Melting Point N/A
Formula C5H6O Boiling Point 158.9 °C at 760 mmHg
Molecular Weight 82.102 Flash Point 64.2 °C
Transport Information N/A Appearance Yellow to amber liquid.
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5557-88-0 (2-Penten-4-yn-1-ol) Hazard Symbols R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.; R36/38:Irritating to eyes and skin.; R45:Ma
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)-;

 

2-Penten-4-yn-1-ol Specification

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%.

2-Penten-4-yn-1-ol and 1,4,5,6-tetrahydro-pyrimidine-5-carbonyl chloride can be used to produce C10H12N2O2*ClH

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

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