3-Decyn-1-ol - CAS 51721-39-2

Catalog:	BB027560
Product Name:	3-Decyn-1-ol
CAS:	51721-39-2
Synonyms:	dec-3-yn-1-ol

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Computed Properties

IUPAC Name:	dec-3-yn-1-ol
Description:	3-Decyn-1-ol (CAS# 51721-39-2) is a useful research chemical.
Molecular Weight:	154.25
Molecular Formula:	C10H18O
Canonical SMILES:	CCCCCCC#CCCO
InChI:	InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-6,9-10H2,1H3
InChI Key:	YGEQBZUDPQQIFI-UHFFFAOYSA-N
Boiling Point:	130-131 °C (22 mmHg)
Purity:	> 96.0 % (GC)
Density:	0.875 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00040917
LogP:	2.34260

Publication Number	Title	Priority Date
US-2021230112-A1	Nanomaterials	20200109
WO-2021124272-A1	Cycloalkyl-containing carboxylic acids and uses thereof	20191219
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
EP-3638678-A1	Compounds and compositions for intracellular delivery of agents	20170614
WO-2018232120-A1	Compounds and compositions for intracellular delivery of agents	20170614

PMID	Publication Date	Title	Journal
22105539	20120101	Toxicity of propargylic alcohols on green alga--Pseudokirchneriella subcapitata	Journal of environmental monitoring : JEM

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2