2-(Benzyloxy)phenol - CAS 6272-38-4

Catalog:	BB031761
Product Name:	2-(Benzyloxy)phenol
CAS:	6272-38-4
Synonyms:	2-phenylmethoxyphenol

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Computed Properties

IUPAC Name:	2-phenylmethoxyphenol
Description:	2-(Benzyloxy)phenol (CAS# 6272-38-4) is used in the synthesis of 2-(benzyloxy)hydroquinone by cytochrome P 450 BM-3 mutant F87V as the catalyst.
Molecular Weight:	200.23
Molecular Formula:	C13H12O2
Canonical SMILES:	C1=CC=C(C=C1)COC2=CC=CC=C2O
InChI:	InChI=1S/C13H12O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChI Key:	CCZCXFHJMKINPE-UHFFFAOYSA-N
Boiling Point:	335.5 ℃ at 760 mmHg
Density:	1.143 g/cm³
Appearance:	Clear liquid
MDL:	MFCD00002186
LogP:	2.97120

Publication Number	Title	Priority Date
WO-2021126264-A1	Inkjet inks	20191220
WO-2021126267-A1	Inkjet inks	20191220
WO-2021075800-A1	Method for preparing water-soluble acrylic-modified phenolic-modified epoxy resin, water-soluble acrylic-modified phenolic-modified epoxy resin prepared thereby, and aqueous coating composition comprising same	20191015
WO-2020112127-A1	Inkjet inks	20181130
WO-2020112128-A1	Inkjet inks	20181130

PMID	Publication Date	Title	Journal
17686651	20080401	Photophysicochemical and fluorescence quenching studies of benzyloxyphenoxy-substituted zinc phthalocyanines	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
15549292	20050601	Hydroxylation activity of P450 BM-3 mutant F87V towards aromatic compounds and its application to the synthesis of hydroquinone derivatives from phenolic compounds	Applied microbiology and biotechnology

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Related Functional Groups

Oxygen Compounds

[134769-80-5]
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[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[24550-39-8]
3-[(4-Chlorobenzyl)oxy]benzaldehyde
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole
[438218-12-3]
5-[(2-Methoxyphenoxy)methyl]furan-2-carbaldehyde

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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:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.083729621
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7