4-PENTYN-2-OL
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4-PENTYN-2-OL
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CAS No:
2117-11-5
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Formula:
C5H8O
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Chemical Name:
4-PENTYN-2-OL
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Synonyms:
pent-4-yn-2-ol;(R,S)-4-PENTYN-2-OL;4-PENTYN-2-OL, 98+%;4-Pentyn-2-ol, 97+%;1-Pentyne-4-ol;(+/-)-4-PENTYN-2-OL;4-PENTYN-2-OL;4-PENTYNE-2-OL
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CAS No:
Description
4-PENTYN-2-OL is clear colorless to pale yellow liquid
4-Pentyn-2-ol, a secondary homopropargylic alcohol, is toxic with LC50 value of 160.
4-PENTYN-2-OL Basic Attributes
84.12
84.12
1734245
218-321-1
DTXSID2022175
Clear colorless to pale yellow
29052990
Characteristics
20.2
0.34
Clear colorless to pale yellow liquid
0.892 g/mL at 25 °C (lit.)
-24.1°C (estimate)
126-127 °C (lit.)
37.2±0.0 °C
n20/D1.438(lit.)
Flammables area
5.35mmHg at 25°C
14.29±0.20(Predicted)
Flammables area
Safety Information
III
3
UN 1987 3/PG 3
3
Xi
26-36
Xi: Irritant;
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
10-36/37/38
UN 1987 3/PG 3
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-PENTYN-2-OL Use and Manufacturing
4-PENTYN-2-OL is used in QSAR studies pertaining to toxicity levels of organic compounds in environmental situations.
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