CAS No.6153-06-6,(E)-3-Methylpent-2-en-4-yn-1-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6153-06-6
Name:	(E)-3-Methylpent-2-en-4-yn-1-ol
Article Data:	27

Formula:	C₆H₈O
Molecular Weight:	96.1289
Synonyms:	2-Penten-4-yn-1-ol,3-methyl-, (E)- (8CI);(2E)-3-Methyl-2-penten-4-yn-1-ol;(E)-3-Methyl-2-pentene-4-yn-1-ol;(E)-3-Methylpent-2-en-4-ynol;E-3-Methyl-2-penten-4-yn-1-ol;trans-3-Methyl-2-penten-4-yn-1-ol;trans-3-Methyl-2-penten-4-ynol;
EINECS:	228-169-8
Density:	0.94 g/cm³
Boiling Point:	170.9 °C at 760 mmHg
Flash Point:	65.6 °C
Appearance:	clear to yellowish liquid
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-37/39
Transport Information:	UN 1760
PSA:	20.23000
LogP:	0.55820

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Specification

The (E)-3-Methylpent-2-en-4-yn-1-ol with the cas number 6153-06-6 is also called 2-Penten-4-yn-1-ol,3-methyl-, (2E)-. Its EINECS registry number is 228-169-8. The molecular formula is C₆H₈O.

The properties of the chemical are: (1)ACD/LogP: 1.36; (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: 9.23Å²; (7)Index of Refraction: 1.481; (8)Molar Refractivity: 29.1 cm³; (9)Molar Volume: 102.2 cm³; (10)Polarizability: 11.53×10^-24cm³; (11)Surface Tension: 35.7 dyne/cm; (12)Enthalpy of Vaporization: 47.42 kJ/mol; (13)Vapour Pressure: 0.46 mmHg at 25°C.

Uses: This chemical can react with chloro-trimethyl-silane to prepare 3-methyl-5-[(trimethylsilyl)oxy]-3-penten-1-yne. This reaction needs reagent 1,1,1,3,3,3-hexamethyldisilazane and solvent diethyl ether. The reaction time is 1.0 hours. The yield is 95%.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C#C\C(=C\CO)C
(2)InChI: InChI=1/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3/b6-4+
(3)InChIKey: ZSJHASYJQIRSLE-GQCTYLIABW