CAS No.5396-61-2,3-ETHYL-1-HEPTYN-3-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5396-61-2
Name:	3-ETHYL-1-HEPTYN-3-OL
Article Data:	5

Formula:	C₉H₁₆O
Molecular Weight:	140.2227
Synonyms:	3-Ethyl-1-heptyn-3-ol;NSC 4328;
Density:	0.885g/cm³
Boiling Point:	169.4 °C at 760 mmHg
Flash Point:	57 °C
Hazard Symbols:	Xn,N
Risk Codes:	R22; R51/53
PSA:	20.23000
LogP:	1.95090

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Specification

The 1-Heptyn-3-ol, 3-ethyl-, with CAS registry number 5396-61-2, belongs to the following product categories: (1)Acetylenes; (2)Acetylenic Alcohols & Their Derivatives. It has the systematic name of 3-ethylhept-1-yn-3-ol. Besides this, it is also called 3-Ethyl-1-heptyn-3-ol. And the chemical formula of this chemical is C₉H₁₆O.

Physical properties of 1-Heptyn-3-ol, 3-ethyl-: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 9.23 Å²; (7)Index of Refraction: 1.456; (8)Molar Refractivity: 43.07 cm³; (9)Molar Volume: 158.4 cm³; (10)Polarizability: 17.07×10^-24cm³; (11)Surface Tension: 33.4 dyne/cm; (12)Density: 0.885 g/cm³; (13)Flash Point: 57 °C; (14)Enthalpy of Vaporization: 47.25 kJ/mol; (15)Boiling Point: 169.4 °C at 760 mmHg; (16)Vapour Pressure: 0.5 mmHg at 25°C.

Uses of 1-Heptyn-3-ol, 3-ethyl-: it can be used to produce 3-butylpent-3-en-2-one and (E)-3-ethyl-hept-3-en-2-one. This reaction will need reagent NH₄NO₃-exchanged zeolite HSZ-320 and solvent chlorobenzene. The reaction time is 4 hour(s) with reaction temperature of 130 ℃. The yield is about 35%.

Uses of 1-Heptyn-3-ol, 3-ethyl-: it can be used to produce 3-butylpent-3-en-2-one and (E)-3-ethyl-hept-3-en-2-one.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#C)C(O)(CC)CCCC
(2)InChI: InChI=1/C9H16O/c1-4-7-8-9(10,5-2)6-3/h2,10H,4,6-8H2,1,3H3
(3)InChIKey: TXCLTIFWSNGTIK-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H16O/c1-4-7-8-9(10,5-2)6-3/h2,10H,4,6-8H2,1,3H3
(5)Std. InChIKey: TXCLTIFWSNGTIK-UHFFFAOYSA-N