5-Hexyn-3-ol - CAS 19780-84-8

Catalog:	BB015283
Product Name:	5-Hexyn-3-ol
CAS:	19780-84-8
Synonyms:	hex-5-yn-3-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	hex-5-yn-3-ol
Description:	5-Hexyn-3-ol (CAS# 19780-84-8 ) is a useful research chemical.
Molecular Weight:	98.14
Molecular Formula:	C6H10O
Canonical SMILES:	CCC(CC#C)O
InChI:	InChI=1S/C6H10O/c1-3-5-6(7)4-2/h1,6-7H,4-5H2,2H3
InChI Key:	AJYGRAORQSCNED-UHFFFAOYSA-N
Boiling Point:	162.6 °C at 760 mmHg
Purity:	> 95.0 % (GC)
Density:	0,892 g/cm³
MDL:	MFCD00041593
LogP:	0.78060

Publication Number	Title	Priority Date
WO-2021095685-A1	Ink composition for water-based ballpoint pens	20191113
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
JP-2021514014-A	Gel type thermal interface material	20180215
JP-2021500438-A	Detachable heat gel	20171023
EP-3668883-A1	Orthoester compositions for affinity purification of oligonucleotides	20170818

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GHS Hazard Statement:	H226 (51.33%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P310, P330, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	77.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.073164938
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	98.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1