2-Decyn-1-ol - CAS 4117-14-0

Catalog:	BB024807
Product Name:	2-Decyn-1-ol
CAS:	4117-14-0
Synonyms:	dec-2-yn-1-ol

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Computed Properties

IUPAC Name:	dec-2-yn-1-ol
Description:	2-Decyn-1-ol (CAS# 4117-14-0) is used in the synthesis of antitumor agents, isomers of Panaxytriol and Falcarinol (F101100). Also used in the synthesis of aromatase inhibitors used in the treatment of cancers, primarily breast and ovarian.
Molecular Weight:	154.25
Molecular Formula:	C10H18O
Canonical SMILES:	CCCCCCCC#CCO
InChI:	InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-7,10H2,1H3
InChI Key:	GFLHGTKUCYPXHB-UHFFFAOYSA-N
Boiling Point:	72 °C
Purity:	96.0 %
Density:	0.855 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00041567
LogP:	2.34260

Publication Number	Title	Priority Date
US-2021230112-A1	Nanomaterials	20200109
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
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
TW-201927279-A	Granular complex containing keratin and hexagonal plate-shaped zinc oxide	20171130

PMID	Publication Date	Title	Journal
22105539	20120101	Toxicity of propargylic alcohols on green alga--Pseudokirchneriella subcapitata	Journal of environmental monitoring : JEM
21994532	20110801	Renoprotective and antioxidant effects of Saururus chinensis Baill in rats fed a high-fructose diet	Nutrition research and practice

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GHS Hazard Statement:	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]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.135765193
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.135765193
Rotatable Bond Count:	5
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3