2-Benzylphenol - CAS 28994-41-4
Catalog: |
BB020040 |
Product Name: |
2-Benzylphenol |
CAS: |
28994-41-4 |
Synonyms: |
2-benzylphenol |
IUPAC Name: | 2-benzylphenol |
Description: | 2-Benzylphenol (CAS# 28994-41-4) is an antimicrobial compound, used in comprising soap bar. |
Molecular Weight: | 184.23 |
Molecular Formula: | C13H12O |
Canonical SMILES: | C1=CC=C(C=C1)CC2=CC=CC=C2O |
InChI: | InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2 |
InChI Key: | CDMGNVWZXRKJNS-UHFFFAOYSA-N |
Boiling Point: | 312 °C |
Density: | 1.101 g/cm3 |
Appearance: | Liquid or crystals |
MDL: | MFCD00002242 |
LogP: | 2.98300 |
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 |
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PMID | Publication Date | Title | Journal |
21379585 | 20110217 | Characterisation of the putative effector interaction site of the regulatory HbpR protein from Pseudomonas azelaica by site-directed mutagenesis | PloS one |
19518072 | 20090807 | Synthetically useful Brønsted acid-promoted arylbenzyl ether --> o-benzylphenol rearrangements | The Journal of organic chemistry |
19222279 | 20090214 | A direct test of the correlation between elastic parameters and fragility of ten glass formers and their relationship to elastic models of the glass transition | The Journal of chemical physics |
17050778 | 20070101 | Sergliflozin, a novel selective inhibitor of low-affinity sodium glucose cotransporter (SGLT2), validates the critical role of SGLT2 in renal glucose reabsorption and modulates plasma glucose level | The Journal of pharmacology and experimental therapeutics |
17127670 | 20061001 | Unexpected formation of hydroxybiphenylmethane derivatives and some new observations on Labat test | Natural product research |
Complexity: | 161 |
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: | 3.6 |
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