10-Undecyn-1-ol - CAS 2774-84-7

Catalog:	BB019664
Product Name:	10-Undecyn-1-ol
CAS:	2774-84-7
Synonyms:	undec-10-yn-1-ol

Technical Data

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Computed Properties

IUPAC Name:	undec-10-yn-1-ol
Description:	10-Undecyn-1-ol (CAS# 2774-84-7) is an acetylenic alcohol with antifungal activity. 10-Undecyn-1-ol is used in the esterification of pentanoic and stearic acids in the presence of various lipase.
Molecular Weight:	168.28
Molecular Formula:	C11H20O
Canonical SMILES:	C#CCCCCCCCCCO
InChI:	InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,12H,3-11H2
InChI Key:	YUQZOUNRPZBQJK-UHFFFAOYSA-N
Boiling Point:	112 °C / 760 mmHg
Flash Point:	100 °C
Purity:	97 %
Density:	0.877 g/mL at 25 °C
Solubility:	Immiscible with water.
Appearance:	Light yellow liquid
MDL:	MFCD00041675
LogP:	2.73270
Refractive Index:	1.4570

Publication Number	Title	Priority Date
EP-3842406-A1	Process for preparing an alkoxymethyl alkynyl ether compound having a terminal triple bond	20191225
US-2021198172-A1	Process for preparing an alkoxymethyl alkynyl ether compound having a terminal triple bond	20191225
WO-2021028928-A1	System and method for determining onset and disease progression	20190813
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
CN-108634362-B	Preparation method and application of composite type tobacco flavor enhancer	20180412

PMID	Publication Date	Title	Journal
18442250	20080528	Regiospecific identification of 2-(12-ricinoleoylricinoleoyl)-1,3-diricinoleoyl-sn-glycerol in castor (Ricinus communis L.) oil by ESI-MS(4)	Journal of agricultural and food chemistry
18454543	20080528	Improvement of antifungal activity of 10-undecyn-1-ol by inclusion complexation with cyclodextrin derivatives	Journal of agricultural and food chemistry
17335105	20070301	Synthesis and biological evaluation of new niphathesine analogues	Archiv der Pharmazie
15237386	20040701	New total synthesis of niphatesine C and norniphatesine C based on a Sonogashira reaction	Archiv der Pharmazie

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Complexity:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.151415257
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.151415257
Rotatable Bond Count:	8
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3