D-PANTOTHENYL ALCOHOL (CED0007933)

Record Information
Version1.0
Creation Date2016-05-19 02:20:53 UTC
Update Date2026-05-14 19:05:26 UTC
Accession NumberCHEM007046
Identification
Common NameD-PANTOTHENYL ALCOHOL
ClassSmall Molecule
Description
D-PANTOTHENYL ALCOHOL belongs to the fatty amides, a subclass of fatty acyls within the organic compounds. This compound has the chemical formula C9H19NO4 and an average molecular weight of 205.25 g/mol. It is categorized within the superclass of lipids and lipid-like molecules. Industrially, D-PANTOTHENYL ALCOHOL is utilized as an anti-static agent, a softener and conditioner, and as a nutrient and flavouring agent. It is found in or released from 27 recorded sources across various sectors. Within household cleaning and consumer products, it appears in bleaching agents, perfumes within detergents and soaps, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices, among four others. In the realm of electrical and electronic equipment, it is associated with amplifiers, electrodes, hybrid capacitors, conductors or conductive bodies characterised by the conductive materials, and electrically stimulated smoking devices, among three others. It is also present in household items such as watch chains and in drinking water and water supply. In the context of food, food processing, and cookware, the compound is linked to food contact materials, food preservation, the processing of meats, and the preparation of vinegar, wine, or sparkling wine. Its use in healthcare, pharmaceuticals, and veterinary products includes vitamins, ophthalmologicals, and cicatrizants. Recorded exposure routes for D-PANTOTHENYL ALCOHOL include oral, topical, touch, inhalation, intravenous, and intramuscular administration.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
DL-PanthenolKegg
(+)-PanthenolHMDB
(+-)-Pantothenyl alcoholHMDB
(R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamideHMDB
2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamideHMDB, MeSH
Alcool DL-pantotenilicoHMDB
Alcopan-250HMDB
BepanthenHMDB, MeSH
BepantheneHMDB
BepantolHMDB
Compnent OF ilopan-cholineHMDB
D(+)-PanthenolHMDB
D(+)-Pantothenyl alcoholHMDB
D-(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramideHMDB
D-(+)-PanthenolHMDB
D-(+)-Pantothenyl alcoholHMDB
D-P-a InjectionHMDB
D-PanthenolHMDB, MeSH
D-Panthenol 50HMDB
D-PantothenolHMDB
D-Pantothenyl alcoholHMDB
DexpantenolHMDB
DexpanthenolHMDB, MeSH
DexpanthenolumHMDB
dextro Pantothenyl alcoholHMDB
DL-PantothenolHMDB
DL-Pantothenyl alcoholHMDB
Fancol DLHMDB
IlopanHMDB, MeSH
IntrapanHMDB
MotilynHMDB
N-Pantoyl-3-propanolamineHMDB
N-Pantoyl-propanolamineHMDB
PanadonHMDB
PantenolHMDB
PantenoloHMDB
PantenylHMDB
PanthenolumHMDB
PanthodermHMDB, MeSH
PantolHMDB
Pantothenyl alcoholHMDB
PantothenylolHMDB
PenthenolHMDB
Provitamin bHMDB
Provitamin b5HMDB
SynapanHMDB
ThenaltonHMDB
UrupanHMDB, MeSH
VaritanHMDB
ZentinicHMDB
Jones brand OF dexpanthenolMeSH, HMDB
Panthenol jenapharmMeSH, HMDB
Repa-ophtalMeSH, HMDB
Roche consumer health brand OF dexpanthenolMeSH, HMDB
Ucee DMeSH, HMDB
Bioglan brand OF dexpanthenolMeSH, HMDB
Braun brand OF dexpanthenolMeSH, HMDB
Cassella-med brand OF dexpanthenolMeSH, HMDB
Febena brand OF dexpanthenolMeSH, HMDB
Jenapharm brand OF dexpanthenolMeSH, HMDB
Lichtenstein brand OF dexpanthenolMeSH, HMDB
Otriven dexpanthenolMeSH, HMDB
Pan rhinolMeSH, HMDB
Pan-ophtalMeSH, HMDB
Panthenol lawMeSH, HMDB
PanthogenatMeSH, HMDB
Wund- und heilsalbe lawMeSH, HMDB
Azupharma brand OF dexpanthenolMeSH, HMDB
CorneregelMeSH, HMDB
Dermapharm brand OF dexpanthenolMeSH, HMDB
Dexpanthenol heumannMeSH, HMDB
Heumann brand OF dexpanthenolMeSH, HMDB
Merck brand OF dexpanthenolMeSH, HMDB
NasicurMeSH, HMDB
Panthenol lichtensteinMeSH, HMDB
RhinoclirMeSH, HMDB
Roche nicholas brand OF dexpanthenolMeSH, HMDB
Roche brand OF dexpanthenolMeSH, HMDB
siozwo SANAMeSH, HMDB
Winzer brand OF dexpanthenolMeSH, HMDB
Artesan brand OF dexpanthenolMeSH, HMDB
LAW brand OF dexpanthenolMeSH, HMDB
Mann brand OF dexpanthenolMeSH, HMDB
MaroldermMeSH, HMDB
Merckle brand OF dexpanthenolMeSH, HMDB
NasenSpray ratiopharm panthenolMeSH, HMDB
Novartis brand OF dexpanthenolMeSH, HMDB
Panthenol braunMeSH, HMDB
Panthenol-ratiopharmMeSH, HMDB
Savage brand OF dexpanthenolMeSH, HMDB
CT-Arzneimittel brand OF dexpanthenolMeSH, HMDB
Panthenol von CTMeSH, HMDB
Ratiopharm brand OF dexpanthenolMeSH, HMDB
(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramideMeSH, HMDB
PanthenolMeSH, HMDB
Chemical FormulaC9H19NO4
Average Molecular Mass205.252 g/mol
Monoisotopic Mass205.131 g/mol
CAS Registry Number81-13-0
IUPAC Name2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
Traditional Namepanthenol
SMILESCC(C)(CO)C(O)C(=O)NCCCO
InChI IdentifierInChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)
InChI KeySNPLKNRPJHDVJA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty amides
Direct ParentN-acyl amines
Alternative Parents
Substituents
  • Monosaccharide
  • N-acyl-amine
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Alkanolamine
  • Carboxylic acid derivative
  • Alcohol
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility121 g/LALOGPS
logP-1ALOGPS
logP-1.7ChemAxon
logS-0.23ALOGPS
pKa (Strongest Acidic)12.69ChemAxon
pKa (Strongest Basic)-2.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area89.79 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity51.88 m³·mol⁻¹ChemAxon
Polarizability21.87 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-0f8a-0911000000-fee05c47b9c7217624f0Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0uxr-0910000000-a8b75972916320313b23Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f8a-0911000000-fee05c47b9c7217624f0Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0uxr-0910000000-a8b75972916320313b23Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f8a-1921000000-f1d6cd175435f0634e26Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0ar9-0940000000-60184a3322815ca33b8cNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0uk9-9800000000-8d98c51203986eae3367Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0kft-7972300000-9bb70f2e8bb63598a2d7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0290000000-3a41e17463410b272ba9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0910000000-f4e5bccdc9f16d066c3cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0c09-0940000000-957d784682c5b786cb11Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05g0-9510000000-d2d9fa108eddb07460c9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05fr-9300000000-1f91c942e9bdd6b42509Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9000000000-c8a05e05963f03822948Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-2950000000-1783767ddbab04af52e8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-5900000000-a70488ad2a04bfe4c1b2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9200000000-09e799aa2d7432cd4670Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-3190000000-cf1eb0adc6af33ccd211Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dl-9100000000-ecfcc7613f38e3982719Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dl-9000000000-78f6619c4d8c33412f62Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-3390000000-b4edf6f7542e2777ef5fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9200000000-7b2930b3e311cd0b08c1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4l-9000000000-c9bed78704f02ea6f7eaNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
5940.0Log mg/kg[3300:11000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
115Drinking waterDrinking water & water supplyNot Available
233BrushesPersonal care & cosmeticsNot Available
265VitaminsHealthcare, pharmaceuticals & veterinary productsNot Available
302CicatrizantsHealthcare, pharmaceuticals & veterinary productsNot Available
405OphthalmologicalsHealthcare, pharmaceuticals & veterinary productsNot Available
490Personal care & cosmeticsNot Available
494Food contact materialsFood, food processing & cookwareNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
545Food PreservationFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
564Soap DispensersHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
577Watch ChainsHousehold itemsNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
596AcaricidesAgriculture & land managementNot Available
597ChemosterilantsAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
604Pest AttractantsAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
632ApparelTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
1 pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePantothenate kinase, putativeQ8ILP4Plasmodium falciparum (isolate 3D7)Predicted (SEA)0.856341
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)39.781
Click to view 3D structureHistamine oxidaseQ59118Arthrobacter globiformisPredicted (SEA)2.17978
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)245.848
Click to view 3D structureExcitatory amino acid transporter 3P51907Rattus norvegicusPredicted (SEA)1.55698
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)1642.54
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)943.065
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)1280.54
Click to view 3D structureAcetylcholine receptor subunit deltaQ07001HumansPredicted (SEA)207.157
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)1195.22
Click to view 3D structurePepsin AP00791Sus scrofaPredicted (SEA)326.11
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)2222.67
Nitric oxide synthase, inducible structureClick to view 3D structureNitric oxide synthase, inducibleP35228HumansPredicted (SEA)149.704
Click to view 3D structureCathepsin DP80209Bos taurusPredicted (SEA)281.892
Click to view 3D structureRetinal dehydrogenase 2O93344Gallus gallusPredicted (SEA)0.544945
Ornithine transcarbamylase, mitochondrial structureClick to view 3D structureOrnithine transcarbamylase, mitochondrialP00480HumansPredicted (SEA)16.8933
Click to view 3D structureTumor necrosis factor receptor superfamily member 16Q9Z0W1Mus musculusPredicted (SEA)51.6919
Papain structureClick to view 3D structurePapainP00784Carica papayaPredicted (SEA)627.854
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)2406.71
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)2063.24
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)3644.36
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)2637.92
Click to view 3D structureNitric oxide synthase, inducibleP29477Mus musculusPredicted (SEA)424.356
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)6515.36
Tyrosine-protein kinase Fyn structureClick to view 3D structureTyrosine-protein kinase FynP06241HumansPredicted (SEA)6288.35
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0304820
FooDB IDFDB112183
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID4516
ChEBI IDNot Available
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References