1-Phenyl-2-propyn-1-ol - CAS 4187-87-5

Catalog:	BB024986
Product Name:	1-Phenyl-2-propyn-1-ol
CAS:	4187-87-5
Synonyms:	1-phenylprop-2-yn-1-ol

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Computed Properties

IUPAC Name:	1-phenylprop-2-yn-1-ol
Description:	1-Phenyl-2-propyn-1-ol (CAS# 4187-87-5) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C9H8O
Canonical SMILES:	C#CC(C1=CC=CC=C1)O
InChI:	InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H
InChI Key:	UIGLAZDLBZDVBL-UHFFFAOYSA-N
Boiling Point:	231 °C (13 torr)
Melting Point:	22-24 °C
Purity:	> 98.0 % (GC)
Density:	1.087 g/cm³
Appearance:	Clear yellow liquid
Storage:	Refrigerator
MDL:	MFCD00021860
LogP:	1.35320

Publication Number	Title	Priority Date
CN-112979610-A	Diacetylene diol compound, and synthetic method and application thereof	20210305
CN-112979612-A	Method for preparing 2-iodo-heterocyclic aromatic ether at room temperature	20210221
CN-112812072-A	Triazole derivative containing deuterium and alkenyl, preparation method and application	20210118
CN-111995691-A	Cellulose ether derivative, preparation method and application	20200821
CN-111808281-A	Method for synthesizing polypyrazole vesicles in one step	20200730

PMID	Publication Date	Title	Journal
23075085	20121102	Enantioselective synthesis of the ent-lomaiviticin A bicyclic core	Organic letters
18443746	20081201	Recent improvements in the development of A(2B) adenosine receptor agonists	Purinergic signalling
16999431	20061002	Mono- and dinuclear oxovanadium(V)calixarene complexes and their activity as oxidation catalysts	Inorganic chemistry
16597374	20060401	Antioxidant properties of propargylamine derivatives: assessment of their ability to scavenge peroxynitrite	The Journal of pharmacy and pharmacology
18404502	20050601	2- and 8-alkynyl-9-ethyladenines: Synthesis and biological activity at human and rat adenosine receptors	Purinergic signalling

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.057514874
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.057514874
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3