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cis-4-Benzyloxy-2-buten-1-ol

cis-4-Benzyloxy-2-buten-1-ol - CAS 81028-03-7

Catalog:	BB036599
Product Name:	cis-4-Benzyloxy-2-buten-1-ol
CAS:	81028-03-7
Synonyms:	(Z)-4-phenylmethoxybut-2-en-1-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(Z)-4-phenylmethoxybut-2-en-1-ol
Description:	cis-4-Benzyloxy-2-buten-1-ol (CAS# 81028-03-7 ) is a useful research chemical.
Molecular Weight:	178.23
Molecular Formula:	C11H14O2
Canonical SMILES:	C1=CC=C(C=C1)COCC=CCO
InChI:	InChI=1S/C11H14O2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-7,12H,8-10H2/b5-4-
InChI Key:	CGLJRLXTVXHOLX-PLNGDYQASA-N
Boiling Point:	105-108 °C / 0.1 mmHg (lit.)
Density:	1.058 g/cm³
MDL:	MFCD02677947
LogP:	1.75170

Publication Number	Title	Priority Date
WO-2020156238-A1	Copper-catalyzed method for preparing aldehyde or ketone compound by oxidizing alcohol by using oxygen as oxidant, and application thereof	20190129
LU-93108-B1	Method of converting alcohol to halide	20160616
WO-2016202894-A1	Method of converting alcohol to halide	20150617
EP-3082822-A1	Hiv protease inhibitors	20131219
EP-3082822-B1	Hiv protease inhibitors	20131219

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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:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	178.099379685
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.099379685
Rotatable Bond Count:	5
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2