1-Octyn-3-ol - CAS 818-72-4

Catalog:	BB036720
Product Name:	1-Octyn-3-ol
CAS:	818-72-4
Synonyms:	oct-1-yn-3-ol

Technical Data

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Literatures

Computed Properties

IUPAC Name:	oct-1-yn-3-ol
Description:	1-Octyn-3-ol (CAS# 818-72-4) is a useful research chemical compound.
Molecular Weight:	126.20
Molecular Formula:	C8H14O
Canonical SMILES:	CCCCCC(C#C)O
InChI:	InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3
InChI Key:	VUGRNZHKYVHZSN-UHFFFAOYSA-N
Boiling Point:	182 °C
Density:	0.865 g/cm³
Appearance:	Liquid
MDL:	MFCD00004588
LogP:	1.56080

Publication Number	Title	Priority Date
JP-2021105116-A	Thermally conductive silicone resin composition	20191226
WO-2021131681-A1	Thermally conductive silicone resin composition	20191226
JP-2021066175-A	A printing member, a method for manufacturing a printing member, and a method for manufacturing a printed matter using the same.	20191018
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
JP-2020180200-A	Thermally conductive silicone composition and its manufacturing method, and thermally conductive silicone cured product	20190424

PMID	Publication Date	Title	Journal
21738794	20110101	Functional characterization of the octenol receptor neuron on the maxillary palps of the yellow fever mosquito, Aedes aegypti	PloS one
19753115	20090915	Characterization of an enantioselective odorant receptor in the yellow fever mosquito Aedes aegypti	PloS one
18725946	20080822	Reverse and conventional chemical ecology approaches for the development of oviposition attractants for Culex mosquitoes	PloS one
18092970	20071201	Evaluation of the enantiomers of 1-octen-3-ol and 1-octyn-3-ol as attractants for mosquitoes associated with a freshwater swamp in Florida, U.S.A	Medical and veterinary entomology
15527317	20041112	A straightforward synthesis of (-)-phaseolinic acid	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P312, P330, P391, and P501
Signal Word:	Warning

Complexity:	98.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.104465066
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.104465066
Rotatable Bond Count:	4
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2