2-Hexyn-1-ol - CAS 764-60-3

Catalog:	BB035577
Product Name:	2-Hexyn-1-ol
CAS:	764-60-3
Synonyms:	hex-2-yn-1-ol

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Computed Properties

IUPAC Name:	hex-2-yn-1-ol
Description:	2-Hexyn-1-ol (CAS# 764-60-3) is a propargyl alcohol that is naturally found as a volatile fragrance component of chestnut blossoms. 2-Hexyn-1-ol also has potential antifungal properties against Aspergillus oryzae, a fungus that is used to produce fermented foods and beverages in Japan.
Molecular Weight:	98.14
Molecular Formula:	C6H10O
Canonical SMILES:	CCCC#CCO
InChI:	InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2-3,6H2,1H3
InChI Key:	BTDWSZJDLLLTMI-UHFFFAOYSA-N
Boiling Point:	66-67 ℃ (10 mmHg)
Purity:	96.0 % (GC)
Density:	0.893 g/cm³
Appearance:	Colorless to yellow liquid
LogP:	0.78220

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
WO-2020150227-A1	Curable compositions for production of toughened silicone elastomers including high crosslinked silicone domains	20190116
JP-2019218596-A	Bright nickel plating method and method for controlling bright nickel plating film.	20180619
JP-6542437-B1	Bright nickel plating method and control method of bright nickel plating film.	20180619
EP-3668883-A1	Orthoester compositions for affinity purification of oligonucleotides	20170818

PMID	Publication Date	Title	Journal
20546419	20100501	Relation between developmental stage, sensory properties, and volatile content of organically and conventionally grown pac choi (Brassica rapa var. Mei Qing Choi)	Journal of food science
19085425	20081201	Solid phase microextraction of volatile organic compounds released from leaves, roots and gum of Astragalus microcephalus Willd., followed by GC and GC/MS analysis	Natural product research

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	82.8
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:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1