Identification

Generic Name
Benzoin
DrugBank Accession Number
DB14020
Background

Benzoin is a white crystalline compound prepared by condensation of benzaldehyde in potassium cyanide, and is used in organic syntheses. This should not be confused with benzoin gum from STYRAX (see Benzoin resin). Benzoin is an FDA-approved colour additive used for marking fruits and vegetables.

Type
Small Molecule
Groups
Approved, Experimental
Structure
Thumb
Weight
Average: 212.2439
Monoisotopic: 212.083729628
Chemical Formula
C14H12O2
Synonyms
  • (+-)-Benzoin
  • 2-Hydroxy-1,2-diphenylethanone
  • Aerozoin
  • alpha-Hydroxy-alpha-phenylacetophenone
  • alpha-Hydroxybenzyl phenyl ketone
  • Benzoin extract (resinoid)
  • Benzoylphenylcarbinol
  • Hydroxy-2-phenyl acetophenone
  • Phenyl-alpha-hydroxybenzyl ketone
  • phenyl-α-hydroxybenzyl ketone
  • Phenylbenzoyl carbinol
  • α-hydroxy-α-phenylacetophenone
External IDs
  • WY 42956
  • WY-42956

Pharmacology

Indication

No approved therapeutic indications.

Pharmacology
Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Associated Conditions
Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
Improve clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
Learn more
Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

No pharmacokinetic data available.

Volume of distribution

No pharmacokinetic data available.

Protein binding

No pharmacokinetic data available.

Metabolism

No pharmacokinetic data available.

Route of elimination

No pharmacokinetic data available.

Half-life

No pharmacokinetic data available.

Clearance

No pharmacokinetic data available.

Adverse Effects
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
Toxicity

Oral LD50 in rat is 10,000 mg/kg and dermal LD50 in rabbit is 8870 mg/kg [MSDS].

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
No interactions found.

Products

Products2
Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Benzoinspray - Aer 25%Aerosol25 %TopicalPharmascience Inc1997-09-292016-10-28Canada flag
Compound Benzoin Tincture USP 10% SwabstickTincture10 %TopicalProfessional Disposables International Inc.1993-11-112012-07-31Canada flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
BenzoinBenzoin (0.6 g/0.6mL) + Aloe vera leaf (.12 g/0.6mL) + Liquidambar styraciflua resin (.48 g/0.6mL) + Tolu balsam (.24 g/0.6mL)SwabTopicalJames Alexander Corporation1976-10-252025-02-28US flag
Chase ColdsorexBenzoin (12.46 %) + Camphor (3 %) + Levomenthol (0.62 %) + Myrrh (5 %)LiquidTopicalStella Pharmaceutical Canada Inc.1997-09-042003-11-20Canada flag
Cold Sore LotionBenzoin (94 %) + Camphor (4 %) + Levomenthol (2 %)LotionTopicalStanley Pharmaceuticals, A Division Of Vita Health Products Inc.1982-12-312002-07-31Canada flag
Cold Sore LotionBenzoin (2.505 g / 100 mL) + Benzocaine (2 g / 100 mL) + Camphor (10 g / 100 mL) + Levomenthol (200 mg / 100 mL) + Myrrh (3.84 g / 100 mL)LotionTopicalD.C. Labs Limited1966-12-312003-07-11Canada flag
Compound Benzoin Tincture USPBenzoin (10 %) + Ethanol (77 %)TinctureTopicalMedi Flex Inc.1998-08-312002-06-26Canada flag
Lotion Pour Feux SauvagesBenzoin (25 %) + Camphor (4 %) + Levomenthol (1.2 %) + Myrrh (25 %)LiquidTopicalSabex Inc1990-12-312001-08-02Canada flag
PODOPHYLLIN PAINT, CO.Benzoin (100 mL/100mL) + Podophyllin (25 g/100mL)Solutionบริษัท วิทยาศรม จำกัด1987-04-23Not applicableThailand flag
Pommade ParnelBenzoin (0.502 %) + Coal tar (7.553 %) + Juniper tar (7.553 %) + Methyl salicylate (1.51 %) + Octasulfur (7.553 %) + Zinc oxide (30.218 %)OintmentTopicalProduits Francais Labs Inc.1983-12-311997-05-30Canada flag
Skin-E-dip OntBenzoin (1.8 %) + Zinc oxide (7 %)OintmentTopicalUnited Bakers Corp1992-12-312015-05-26Canada flag
Tuffner Clear SprayBenzoin (3 %) + Ethyl chloride (12 %)AerosolTopicalMueller Sports Medicine, Inc.1970-12-312003-08-01Canada flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
BenzoinBenzoin (0.6 g/0.6mL) + Aloe vera leaf (.12 g/0.6mL) + Liquidambar styraciflua resin (.48 g/0.6mL) + Tolu balsam (.24 g/0.6mL)SwabTopicalJames Alexander Corporation1976-10-252025-02-28US flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
L7J6A1NE81
CAS number
119-53-9
InChI Key
ISAOCJYIOMOJEB-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
IUPAC Name
2-hydroxy-1,2-diphenylethan-1-one
SMILES
OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

References

General References
Not Available
Human Metabolome Database
HMDB0032039
KEGG Compound
C01408
ChemSpider
8093
BindingDB
22728
ChEBI
17682
ChEMBL
CHEMBL190677
Wikipedia
Benzoin
MSDS
Download (74.3 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
SwabTopical
AerosolTopical25 %
LotionTopical
TinctureTopical
TinctureTopical10 %
LiquidTopical
Solution
OintmentTopical
AerosolTopical
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)134-138MSDS
boiling point (°C)194MSDS
Predicted Properties
PropertyValueSource
Water Solubility0.561 mg/mLALOGPS
logP2.64ALOGPS
logP2.65ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)12.62ChemAxon
pKa (Strongest Basic)-3.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.3 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity62.52 m3·mol-1ChemAxon
Polarizability22.45 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - EI-BGC-MSsplash10-0a4i-0900000000-b0ec63ecab48679dd41a
GC-MS Spectrum - EI-BGC-MSsplash10-0a6r-6900000000-2f572dbc9a49f3d86fa6
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0fb9-1900000000-96773244d2cba7c024ae
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-004i-2900000000-ccb5c52e6567e1dffec5
Mass Spectrum (Electron Ionization)MSsplash10-0a6r-8900000000-6d617b005827df08dce0
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-000t-0900000000-6b3b67a4498bb2a50054
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-001l-0900000000-ba590db9702956fdbc3f

Drug created at May 03, 2018 18:10 / Updated at January 08, 2021 01:07