4-Phenyl-3-butyn-2-ol - CAS 5876-76-6

Catalog:	BB030159
Product Name:	4-Phenyl-3-butyn-2-ol
CAS:	5876-76-6
Synonyms:	4-phenylbut-3-yn-2-ol

Technical Data

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Computed Properties

IUPAC Name:	4-phenylbut-3-yn-2-ol
Description:	4-Phenyl-3-butyn-2-ol (CAS# 5876-76-6 ) is a useful research chemical.
Molecular Weight:	146.19
Molecular Formula:	C10H10O
Canonical SMILES:	CC(C#CC1=CC=CC=C1)O
InChI:	InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,1H3
InChI Key:	JYOZFNMFSVAZAW-UHFFFAOYSA-N
Boiling Point:	250.1 °C at 760 mmHg
Density:	1.005 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00046651
LogP:	1.41890

Publication Number	Title	Priority Date
CN-111662147-A	Process for preparing diynes and analogues thereof	20200703
WO-2020241368-A1	Curable organopolysiloxane composition, and optical member formed from cured product of same	20190531
WO-2020241369-A1	Curable organopolysiloxane composition, and optical member formed from cured product of same	20190531
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
JP-2019206676-A	Polymer compound, method for producing polymer compound, and use thereof	20180530

PMID	Publication Date	Title	Journal
11901095	20020401	Reductive metabolism of an alpha,beta-ketoalkyne, 4-phenyl-3-butyn-2-one, by rat liver preparations	Drug metabolism and disposition: the biological fate of chemicals

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2-Phenyl-3-butyn-2-ol

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.073164938
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.073164938
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8