2-(Benzyloxy)phenol - CAS 6272-38-4
Catalog: |
BB031761 |
Product Name: |
2-(Benzyloxy)phenol |
CAS: |
6272-38-4 |
Synonyms: |
2-phenylmethoxyphenol |
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 °C at 760 mmHg |
Density: | 1.143 g/cm3 |
Appearance: | Clear liquid |
MDL: | MFCD00002186 |
LogP: | 2.97120 |
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 |
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 |
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 |
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