CAS No.60657-70-7,2-METHYL-5-OCTYN-4-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	60657-70-7
Name:	2-METHYL-5-OCTYN-4-OL

Formula:	C₉H₁₆O
Molecular Weight:	140.22
Synonyms:	2-Methyl-5-octyn-4-ol;
Density:	0.883 g/cm³
Boiling Point:	171.8 °C at 760 mmHg
Flash Point:	62 °C
Appearance:	colorless or yellow liquid
Safety:	24/25
PSA:	20.23000
LogP:	1.80680

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Specification

This chemical is called 5-Octyn-4-ol, 2-methyl-, and its IUPAC name is 2-methyloct-5-yn-4-ol. With the molecular formula of C₉H₁₆O, its molecular weight is 140.22. The CAS registry number of this chemical is 60657-70-7.

Other characteristics of the 5-Octyn-4-ol, 2-methyl- can be summarised as followings: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 40.25; (6)ACD/BCF (pH 7.4): 40.25; (7)ACD/KOC (pH 5.5): 490.13; (8)ACD/KOC (pH 7.4): 490.13; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 43.2 cm³; (15)Molar Volume: 158.6 cm³; (16)Polarizability: 17.12×10^-24cm³; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 0.883 g/cm³; (19)Flash Point: 62 °C; (20)Enthalpy of Vaporization: 47.52 kJ/mol; (21)Boiling Point: 171.8 °C at 760 mmHg; (22)Vapour Pressure: 0.437 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: C(#CC(O)CC(C)C)CC
2.InChI: InChI=1/C9H16O/c1-4-5-6-9(10)7-8(2)3/h8-10H,4,7H2,1-3H3
3.InChIKey: YBGQRUFRRPFNKW-UHFFFAOYAV