4-Benzylphenol - CAS 101-53-1
Catalog: |
BB000528 |
Product Name: |
4-Benzylphenol |
CAS: |
101-53-1 |
Synonyms: |
4-benzylphenol |
IUPAC Name: | 4-benzylphenol |
Description: | 4-Benzylphenol (CAS# 101-53-1) is a useful research chemical. |
Molecular Weight: | 184.23 |
Molecular Formula: | C13H12O |
Canonical SMILES: | C1=CC=C(C=C1)CC2=CC=C(C=C2)O |
InChI: | InChI=1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2 |
InChI Key: | HJSPWKGEPDZNLK-UHFFFAOYSA-N |
Boiling Point: | 198-200 °C (10 torr) |
Density: | 1.101 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00002384 |
LogP: | 2.98300 |
Vapor Pressure: | 0.0000685 [mmHg] |
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 |
CN-112126680-A | Kit and method for screening trace endocrine disruptors based on fluorescent quantitative PCR | 20200927 |
WO-2021188335-A1 | Improved ring opening metathesis catalyst systems for cyclic olefin polymerization | 20200319 |
WO-2021188337-A1 | Pentavalent dimeric group 6 transition metal complexes and methods for use thereof | 20200319 |
WO-2021177233-A1 | Active ester, curable resin composition, and cured product | 20200303 |
JP-2021130744-A | Curable resin composition and cured product | 20200218 |
PMID | Publication Date | Title | Journal |
28927721 | 20180201 | Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay | Toxicology in vitro : an international journal published in association with BIBRA |
27561732 | 20161101 | Predicting anti-androgenic activity of bisphenols using molecular docking and quantitative structure-activity relationships | Chemosphere |
21273340 | 20110501 | Changing the substrate specificity of P450cam towards diphenylmethane by semi-rational enzyme engineering | Protein engineering, design & selection : PEDS |
19734050 | 20091001 | Identification and characterization of novel sirtuin inhibitor scaffolds | Bioorganic & medicinal chemistry |
19317446 | 20090423 | Discovery of novel 1-azoniabicyclo[2.2.2]octane muscarinic acetylcholine receptor antagonists | Journal of medicinal chemistry |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.088815002 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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