SODIUM o-PHENYLPHENOL
Relevant Data
Food Additives Approved in the United States
General Information
| Chemical Names: | SODIUM o-PHENYLPHENATE; SODIUM o-PHENYLPHENOLATE; SODIUM (1,1'-BIPHENYL)-2-OLATE |
| CAS number: | 132-27-4 |
| INS: | 232 |
| Functional Class: |
Food Additives PRESERVATIVE |
From apps.who.int
Evaluations
| Evaluation year: | 1964 |
| ADI: | 0-0.2 mg/kg bw |
| Meeting: | 08 |
| Specs Code: | R |
| Comments: | Conditional, 0.2-1.0 mg/kg bw. In 1999 JMPR allocated an ADI of 0-0.4 mg/kg bw for 2-phenylphenol; an ADI was not established for the sodium salt because it rapidly dissociates to 2-phenylphenol (FAO Plant Production and Protection Paper 153, Rome, 1999) |
| Report: | NMRS 38/TRS 309-JECFA 8/25 |
| Tox Monograph: | FAS 24.65/NMRS 38A-JECFA 8/48 |
| Specification: | COMPENDIUM ADDENDUM 12/FNP 52 Add. 12/68 (METALS LIMITS) (2004). R; FAO JECFA Monographs 1 vol.3/375 |
From apps.who.int
GSFA Provisions for SODIUM o-PHENYLPHENOL
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 04.1.1.2 | Surface-treated fresh fruit |
12 mg/kg | Note 49 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 23675735 |
| IUPAC Name | sodium;2-phenylphenolate |
| InChI | InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1 |
| InChI Key | KSQXVLVXUFHGJQ-UHFFFAOYSA-M |
| Canonical SMILES | C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+] |
| Molecular Formula | C12H9NaO |
| Wikipedia | Sodium ortho-phenylphenate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 192.193 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Complexity | 154.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B w I C A A A A A A A A A A A A A A A A A A A A A A A A A w Y A A A A A A A A A A B Q A A A G g A A A A A A D A S A m A A w B o A A A A C A A i B C A A A C A A A g I A A I i A A G C I g I J i K A E R K A M A A k w B E I i A e A w O A O g A A A A A A I A A A A A A A A A B A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 23.1 |
| Monoisotopic Mass | 192.055 |
| Exact Mass | 192.055 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenyl - Phenoxide - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
From ClassyFire