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101-53-1,MFCD00002384
Catalog No.:AA0003DG
101-53-1 | 4-Benzylphenol
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1g
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5g
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25g
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100g
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0003DG
Chemical Name:
4-Benzylphenol
CAS Number:
101-53-1
Molecular Formula:
C13H12O
Molecular Weight:
184.2338
MDL Number:
MFCD00002384
IUPAC Name:
4-benzylphenol
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
SMILES:
Oc1ccc(cc1)Cc1ccccc1
EC Number:
202-950-3
UNII:
CS02509J25
NSC Number:
8078
Properties
Computed Properties
 
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.089g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.238g/mol
Monoisotopic Mass:
184.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
4-benzylphenol 
4-benzylphenol, sodium salt 
4-Hydroxyditane 
4-(Phenylmethyl)phenol 
Phenol, 4-(phenylmethyl)- 
p-Hydroxydiphenyl methane 
alpha-Phenyl-p-cresol 
NSC 8078 
p-Hydroxydiphenylmethane 
4-Benzyl-phenol 
p-Cresol, .alpha.-phenyl- 
AI3-1932 
4-hydroxydiphenylmethane 
UNII-CS02509J25 
Parabencilfenilcarbamato [Spanish] 
.alpha.-Phenyl-p-cresol 
EINECS 202-950-3 
BRN 1449572 
AI3-01932 
HJSPWKGEPDZNLK-UHFFFAOYSA-N 
MFCD00002384 
CS02509J25 
Parabencilfenilcarbamato 
p-benzylphenol 
4-benzyiphenol 
Fesia-sept 
4-(benzyl)phenol 
a-Phenyl-p-cresol 
4-Benzylphenol, 99% 
p-Cresol, alpha-phenyl- 
ACMC-2097vr 
Phenol,4-(phenylmethyl)- 
AC1L1P1P 
DSSTox_CID_27938 
para-benzylphenol 
DSSTox_RID_82690 
DSSTox_GSID_47962 
SCHEMBL87817 
4-06-00-04640 (Beilstein Handbook Reference) 
BIDD:ER0002 
AC1Q78U5 
ARONIS011787 
CHEMBL611613 
DTXSID9047962 
NSC8078 
4-Benzylphenol 
p-Cresol, alpha-phenyl- (8CI) 
1-Hydroxy-4-(phenylmethyl)benzene 
ACT08063 
KS-000042UG 
NSC-8078 
ZINC1586387 
Tox21_201009 
6110AF 
ANW-14485 
SBB056683 
101-53-1 
STL066603 
AKOS000114417 
MCULE-5652013271 
NE10188 
RTR-000391 
NCGC00248895-01 
NCGC00248895-02 
NCGC00258562-01 
AJ-27559 
BP-10887 
p-Benzylphenol 
CAS-101-53-1 
CJ-05527 
CJ-25248 
ST089349 
LS-105061 
TR-000391 
BB 0246747 
FT-0617672 
EN300-61751 
AB01333171-02 
4-HYDROXYDIPHENYLMETHANE 
AE-641/00672030 
J-000423 
I01-19067 
Z223656300 
para-benzylphenol 
Para Benzyl phenol 
|A-Phenyl-p-cresol 
4-(Phenylmethyl)phen-ol 
4-benzylphenol, sodium salt 
Phenyl-4-hydroxyphenylmethane 
Fesiasept 
C13H12O 
CID7563 
C13-H12-O 
CS-O-00259 
H0239 
C031961 
Literature

Title: Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20180201

Title: Predicting anti-androgenic activity of bisphenols using molecular docking and quantitative structure-activity relationships.

Journal: Chemosphere 20161101

Title: Changing the substrate specificity of P450cam towards diphenylmethane by semi-rational enzyme engineering.

Journal: Protein engineering, design & selection : PEDS 20110501

Title: Identification and characterization of novel sirtuin inhibitor scaffolds.

Journal: Bioorganic & medicinal chemistry 20091001

Title: Discovery of novel 1-azoniabicyclo[2.2.2]octane muscarinic acetylcholine receptor antagonists.

Journal: Journal of medicinal chemistry 20090423

Title: Ligands to the (IRAP)/AT4 receptor encompassing a 4-hydroxydiphenylmethane scaffold replacing Tyr2.

Journal: Bioorganic & medicinal chemistry 20080715

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

Title: Comparison of the reporter gene assay for ER-alpha antagonists with the immature rat uterotrophic assay of 10 chemicals.

Journal: Toxicology letters 20030430

Title: Immature rat uterotrophic assay of 18 chemicals and Hershberger assay of 30 chemicals.

Journal: Toxicology 20030201

Title: Genotoxic activation of benzophenone and its two metabolites by human cytochrome P450s in SOS/umu assay.

Journal: Mutation research 20020826

Title: Synthesis of p-benzylcalix[4]arene and its sulfonated water soluble derivative.

Journal: Chemical communications (Cambridge, England) 20011207

Title: Engineering the CYP101 system for in vivo oxidation of unnatural substrates.

Journal: Protein engineering 20011001

Title: Measurement of estrogenic activity of chemicals for the development of new dental polymers.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20010101

Title: Cloning and expression of a rat liver phenobarbital-inducible UDP-glucuronosyltransferase (2B12) with specificity for monoterpenoid alcohols.

Journal: Archives of biochemistry and biophysics 19951001

Title: Stable expression of a human liver UDP-glucuronosyltransferase (UGT2B15) with activity toward steroid and xenobiotic substrates.

Journal: Drug metabolism and disposition: the biological fate of chemicals 19940101

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