1-Octyn-4-ol supplier | CasNO.52517-92-7

Name
OCT-1-YN-4-OL
EINECS
CAS No. 52517-92-7
Article Data17
CAS DataBase
Density 0.887 g/cm³
Solubility
Melting Point -39°C (estimate)
Formula C₈H₁₄O
Boiling Point 204.5 °C at 760 mmHg
Molecular Weight 126.199
Flash Point 134 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (?à)-1-Octyn-4-ol;4-Hydroxy-1-octyne;
PSA
LogP

1-Octyn-4-ol Specification

The 1-Octyn-4-ol, with the CAS registry number 52517-92-7, is also known as AC1L2V7T. This chemical's molecular formula is C₈H₁₄O and molecular weight is 126.19616. Its IUPAC name is called oct-1-yn-4-ol.

Physical properties of 1-Octyn-4-ol: (1)ACD/LogP: 1.94; (2)ACD/LogD (pH 5.5): 1.93; (3)ACD/LogD (pH 7.4): 1.93; (4)ACD/BCF (pH 5.5): 17.39; (5)ACD/BCF (pH 7.4): 17.39; (6)ACD/KOC (pH 5.5): 268.79; (7)ACD/KOC (pH 7.4): 268.79; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.452; (12)Molar Refractivity: 38.43 cm³; (13)Molar Volume: 142.2 cm³; (14)Surface Tension: 34 dyne/cm; (15)Density: 0.887 g/cm³; (16)Flash Point: 134 °C; (17)Enthalpy of Vaporization: 51.27 kJ/mol; (18)Boiling Point: 204.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0631 mmHg at 25°C.

Uses of 1-Octyn-4-ol: it can be used to produce 1-(2,6-dimethoxy-pyrimidin-4-yl)-oct-1-yn-4-ol with 4-bromo-2,6-dimethoxy-pyrimidine at temperature of 20 °C. This reaction is a kind of Sonogashira coupling. It will need reagents (PPh₃)₂PdCl₂, CuI, Et₃N and solvent tetrahydrofuran with reaction time of 19 hours. The yield is about 75%.

1-Octyn-4-ol can be used to produce 1-(2,6-dimethoxy-pyrimidin-4-yl)-oct-1-yn-4-ol with 4-bromo-2,6-dimethoxy-pyrimidine

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(CC#C)O
(2)InChI: InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h2,8-9H,3,5-7H2,1H3
(3)InChIKey: CNKOTDLNZPTGOY-UHFFFAOYSA-N

Product Name

OCT-1-YN-4-OL

1-Octyn-4-ol Specification

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