3-Hexyn-2-ol
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3-Hexyn-2-ol
structure -
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CAS No:
109-50-2
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Formula:
C6H10O
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Chemical Name:
3-Hexyn-2-ol
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Synonyms:
3-Hexyn-2-ol;2-Hydroxy-3-hexyne
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CAS No:
Description
3-Hexyn-2-ol is used in the synthesis of highly substituted furans in addition to being used in the preparation of phosphorofluidic acid ammonium salts.
Characteristics
20.23000
0.78060
0.909
-34°C (estimate)
79-80 °C @ Press: 60 Torr
128°F
1.447
1.65mmHg at 25°C
Safety Information
III
3
1987
3
R10;R50
61
N
P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, P501
H226
UN 1987
P273
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Normal alkane RI, non-polar column, custom temperature program | Capillary | VF-5 | 796. | custom temperature program | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min) | Shivashankar, S.Roy, T.K.Moorthy, P.N.R.Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. jussChem. Bull. of Politechnika Univ. Timisoara, Romania2012, 57(71), 1, 1-6. | |
| Normal alkane RI, non-polar column, custom temperature program | Capillary | VF-5 | 797. | custom temperature program | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified | Shivashankar, S.Roy, T.K.Moorthy, P.N.R.Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. jussChem. Bull. of Politechnika Univ. Timisoara, Romania2012, 57(71), 1, 1-6. |
Computed Properties
Molecular Weight:98.14
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:98.073164938
Monoisotopic Mass:98.073164938
Topological Polar Surface Area:20.2
Heavy Atom Count:7
Complexity:93.2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes