4-Phenyl-1-buten-4-ol - CAS 936-58-3

Catalog:	BB041006
Product Name:	4-Phenyl-1-buten-4-ol
CAS:	936-58-3
Synonyms:	1-phenylbut-3-en-1-ol

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Computed Properties

IUPAC Name:	1-phenylbut-3-en-1-ol
Description:	4-Phenyl-1-buten-4-ol (CAS# 936-58-3) is a useful research chemical.
Molecular Weight:	148.20
Molecular Formula:	C10H12O
Canonical SMILES:	C=CCC(C1=CC=CC=C1)O
InChI:	InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-5,7-8,10-11H,1,6H2
InChI Key:	RGKVZBXSJFAZRE-UHFFFAOYSA-N
Boiling Point:	228.5 °C at 760 mmHg
Density:	0.997 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00039617
LogP:	2.29610

Publication Number	Title	Priority Date
WO-2021193754-A1	Positively charged cluster, cluster ion mass and method for producing same, catalyst, and adhesive	20200325
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021108683-A1	Covalent ras inhibitors and uses thereof	20191127
CN-110591073-A	Preparation method of ester macromonomer for super-retarding polycarboxylate superplasticizer	20190925

PMID	Publication Date	Title	Journal
17092048	20061116	Homoallylic alcohol isomerization in water over an immobilized Ru(II) organometallic catalyst with mesoporous structure	The journal of physical chemistry. B
15678192	20050207	Synthesis of sedamine by tethered cyclofunctionalisation	Organic & biomolecular chemistry
12785830	20030521	Kinetic isotope effects implicate two electrophilic oxidants in cytochrome p450-catalyzed hydroxylations	Journal of the American Chemical Society

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

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.088815002
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.088815002
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2