1-Pentyn-3-ol
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1-Pentyn-3-ol
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CAS No:
4187-86-4
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Formula:
C5H8O
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Chemical Name:
1-Pentyn-3-ol
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Synonyms:
1-Pentyn-3-ol;Ethylethynylcarbinol;3-Hydroxy-1-pentyne;(RS)-1-Pentyn-3-ol;NSC 60556;Pent-1-yn-3-ol;65253-21-6
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CAS No:
Characteristics
20.2
0.6
CLEAR YELLOW LIQUID
0.8926 g/cm3 @ Temp: 15 °C
-24.1°C (estimate)
125 °C
29.4±0.0 °C
1.442
Slightly soluble in water.
Flammables area
1 (vs air)
Safety Information
Ⅲ
3
1986
3
3,6.1
S16-S36/37/39-S45
SC4758500
Xi:Irritant;
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, P501
H226
|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:84.12
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:84.057514874
Monoisotopic Mass:84.057514874
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Complexity:67.3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
