5-Hexyn-1-ol, >95.0%

Name: 5-Hexyn-1-ol
Brand: Chempure

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CAS Number

928-90-5

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About this item

IUPAC name	hex-5-yn-1-ol
canonical smiles	C#CCCCCO
inchi	InChI=1S/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2
inchi key	GOQJMMHTSOQIEI-UHFFFAOYSA-N
molecular formula	C6H10O
synonyms	5-Hexyn-1-ol 928-90-5 Hex-5-yn-1-ol 1-Hydroxy-5-hexyne MFCD00002980

Computed Properties

Molecular Weight:	98.14 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	3
Exact Mass:	98.073164938 g/mol
Monoisotopic Mass:	98.073164938 g/mol
Topological Polar Surface Area:	20.2 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	67.5
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: CS5505

5-Hexyn-1-ol, >95.0%

Product No: CS5505

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Product No: CS5505

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?