Dowicide A (CHEM003681)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2014-09-11 02:06:29 UTC
Update Date2026-04-16 22:44:19 UTC
Accession NumberCHEM003681
Identification
Common NameDowicide A
ClassSmall Molecule
DescriptionDowicide A is an Agricultural fungicide, disinfectant, food preservative, mould inhibitor for apples.
Contaminant Sources
  • Clean Air Act Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens Group 2B
  • T3DB toxins
Contaminant Type
  • Disinfectant
  • Food Additive
  • Food Toxin
  • Fungicide
  • Household Toxin
  • Metabolite
  • Organic Compound
  • Pesticide
  • Preservative
  • Synthetic Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(1,1'-Biphenyl)-2-ol, sodium saltHMDB
(1,1'-Biphenyl)-2-ol, sodium salt (1:1)HMDB
(1,1'-Biphenyl)-2-ol, sodium salt, tetrahydrateHMDB
(2-Biphenylyloxy)-sodiumHMDB
(2-Biphenylyloxy)sodiumHMDB
2-Bi phenylol, sodium saltHMDB
2-Biphenylol sodium saltHMDB
2-Biphenylol, sodium saltHMDB
2-Biphenylol, sodium salt, tetrahydrateHMDB
2-Hydroxybiphenyl sodium saltHMDB
2-Hydroxybiphenyl sodium salt tetrahydrateHMDB
2-Hydroxydiphenyl sodiumHMDB
2-Hydroxydiphenyl sodium saltHMDB
2-Hydroxydiphenyl, sodium saltHMDB
2-Phenylphenol sodiumHMDB
2-Phenylphenol sodium salt tetrahydrateHMDB
BactrolHMDB
Biphenylol, sodium saltHMDB
C12H9O.NaHMDB
D.c.SHMDB
D.c.S.HMDB
Dorvicide aHMDB
Dowicide a & a flakesHMDB
Dowicide a flakesHMDB
DowizidHMDB
Dowizid aHMDB
e232HMDB
Hydroxydip henyl, sodium saltHMDB
Hydroxydiphenyl, sodium saltHMDB
Mil-du-ridHMDB
Mystox wfaHMDB
NatripheneHMDB
O-Phenyl phenol sodium saltHMDB
O-Phenylphenate sodiumHMDB
O-Phenylphenate, sodiumHMDB
O-Phenylphenol sodiumHMDB
O-Phenylphenol sodium saltHMDB
O-Phenylphenol, na saltHMDB
O-Phenylphenol, sodiumHMDB
O-Phenylphenol, sodium derivHMDB
O-Phenylphenol, sodium saltHMDB
OPP-NaHMDB
OPP-SodiumHMDB
OrphenolHMDB
Phenol, O-phenyl-, sodium derivHMDB
Phenol, O-phenyl-, sodium deriv.HMDB
Phenylphenol, sodium saltHMDB
Preventol ON & ON extraHMDB
Preventol ON extraHMDB
Preventol-ONHMDB
PreventolonHMDB
Sodium (1,1'-biphenyl)-2-olateHMDB
Sodium 2-biphenylateHMDB
Sodium 2-biphenylate tetrahydrateHMDB
Sodium 2-biphenylolateHMDB
Sodium 2-hydroxydiphenylHMDB
Sodium 2-phenylphenateHMDB
Sodium 2-phenylphenoxideHMDB
Sodium biphenyl-2-olateHMDB
Sodium O-phenylphenateHMDB
Sodium O-phenylphenate tetrahydrateHMDB
Sodium O-phenylphenolHMDB
Sodium O-phenylphenolateHMDB
Sodium O-phenylphenoxideHMDB
Sodium O-phenylphenyolateHMDB
Sodium orthophenylphenoxideHMDB
Sodium-O-phenylphenateHMDB
Sodium-O-phenylphenolHMDB
SOPPHMDB
Stopmold bHMDB
[1,1'-Biphenyl]-2-ol, sodium saltHMDB
Sodium ortho-phenylphenic acidGenerator
Chemical FormulaC12H9NaO
Average Molecular Mass192.189 g/mol
Monoisotopic Mass192.055 g/mol
CAS Registry Number132-27-4
IUPAC Namesodium 2-phenylbenzen-1-olate
Traditional Namesodium o-phenylphenate
SMILES[Na+].[O-]C1=CC=CC=C1C1=CC=CC=C1
InChI IdentifierInChI=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 KeyKSQXVLVXUFHGJQ-UHFFFAOYSA-M
Chemical Taxonomy
Description 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.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBiphenyls and derivatives
Direct ParentBiphenyls and derivatives
Alternative Parents
Substituents
  • Biphenyl
  • Phenoxide
  • Organic alkali metal salt
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic sodium salt
  • Organic salt
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
Solubility1000 mg/mL at 25 °C
Predicted Properties
PropertyValueSource
Water Solubility0.17 g/LALOGPS
logP3.8ALOGPS
logP3.32ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)9.69ChemAxon
pKa (Strongest Basic)-5.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area23.06 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity63.73 m³·mol⁻¹ChemAxon
Polarizability18.42 ųChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-1900000000-19e41b88ff198c47022dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0900000000-fa188ee2578578cb0a7eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-0900000000-675c7f42b8439a05d1daSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0f72-6900000000-e52eb1be54313d7998fbSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-0900000000-07761d66d79256e08c57Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-0900000000-d8a55bc576b728c2a3baSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0ug3-4900000000-bdba904c0cca4697a7a8Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)2B, possibly carcinogenic to humans. (1)
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0040464
FooDB IDFDB020217
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID8587
Kegg Compound IDC19298
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available