U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H11O.Na
Molecular Weight 206.2156
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM O-BENZYLPHENOL

SMILES

[Na+].[O-]C1=CC=CC=C1CC2=CC=CC=C2

InChI

InChIKey=LTJOICQVBHZFJB-UHFFFAOYSA-M
InChI=1S/C13H12O.Na/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;/h1-9,14H,10H2;/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H11O
Molecular Weight 183.2258
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthetically useful Brønsted acid-promoted arylbenzyl ether --> o-benzylphenol rearrangements.
2009-08-07
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.
2009-02-14
Unexpected formation of hydroxybiphenylmethane derivatives and some new observations on Labat test.
2006-10
From carbon dioxide to methane: homogeneous reduction of carbon dioxide with hydrosilanes catalyzed by zirconium-borane complexes.
2006-09-27
Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.
2006-07-21
Estrogenic activities of chemicals related to food contact plastics and rubbers tested by the yeast two-hybrid assay.
2006-04
Vibrational spectra and conformational isomerism of calixarene building blocks: 2-benzylphenol.
2003-02-21
Antioxidant ortho-benzoyloxyphenyl acetic acid ester, vaccihein A, from the fruit of rabbiteye blueberry (Vaccinium ashei).
2002-10
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:33:58 GMT 2025
Edited
by admin
on Mon Mar 31 17:33:58 GMT 2025
Record UNII
4J6E03Q3LO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM O-BENZYLPHENOL
Systematic Name English
SODIUM 2-BENZYLPHENOLATE
Preferred Name English
Code System Code Type Description
PUBCHEM
23665341
Created by admin on Mon Mar 31 17:33:58 GMT 2025 , Edited by admin on Mon Mar 31 17:33:58 GMT 2025
PRIMARY
FDA UNII
4J6E03Q3LO
Created by admin on Mon Mar 31 17:33:58 GMT 2025 , Edited by admin on Mon Mar 31 17:33:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID80226544
Created by admin on Mon Mar 31 17:33:58 GMT 2025 , Edited by admin on Mon Mar 31 17:33:58 GMT 2025
PRIMARY
CAS
7563-58-8
Created by admin on Mon Mar 31 17:33:58 GMT 2025 , Edited by admin on Mon Mar 31 17:33:58 GMT 2025
PRIMARY
ECHA (EC/EINECS)
231-461-8
Created by admin on Mon Mar 31 17:33:58 GMT 2025 , Edited by admin on Mon Mar 31 17:33:58 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE