Record Information
Version1.0
Creation Date2014-09-05 17:11:53 UTC
Update Date2026-03-31 16:57:24 UTC
Accession NumberCHEM003553
Identification
Common NamePalmitic acid
ClassSmall Molecule
DescriptionPalmitic acid, or hexadecanoic acid is one of the most common saturated fatty acids found in animals and plants, a saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.(wikipedia) Biological Source: Occurs in the form of esters (glycerides) in oils and fats of vegetable and animal origin. Usually obtained from palm oil. Widely distributed in plants Use/Importance:. Palmitic acid is used in determination of water hardness Biological Use/Importance: Active ingredient of *Levovist*TM, used in echo enhancement in sonographic Doppler B-mode imaging. Ultrasound contrast medium (Dictionary of Organic Compounds).
Contaminant Sources
  • Cosmetic Chemicals
  • EAFUS Chemicals
  • FooDB Chemicals
  • HMDB Contaminants - Feces
  • HMDB Contaminants - Urine
  • HPV EPA Chemicals
  • OECD HPV Chemicals
  • Suspected Compounds – Schymanski Project
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Animal Toxin
  • Household Toxin
  • Metabolite
  • Natural Compound
  • Organic Compound
  • Plant Toxin
Chemical Structure
Thumb
Synonyms
ValueSource
1-Hexyldecanoic acidChEBI
1-Pentadecanecarboxylic acidChEBI
16:00ChEBI
C16ChEBI
C16 Fatty acidChEBI
C16:0ChEBI
Cetylic acidChEBI
CH3-[CH2]14-COOHChEBI
FA 16:0ChEBI
HexadecanoateChEBI
Hexadecoic acidChEBI
Hexadecylic acidChEBI
Hexaectylic acidChEBI
N-Hexadecanoic acidChEBI
N-Hexadecoic acidChEBI
PalmitateChEBI
Palmitinic acidChEBI
PalmitinsaeureChEBI
Pentadecanecarboxylic acidChEBI
1-HexyldecanoateGenerator
1-PentadecanecarboxylateGenerator
CetylateGenerator
Hexadecanoic acidGenerator
HexadecoateGenerator
HexadecylateGenerator
HexaectylateGenerator
N-HexadecanoateGenerator
N-HexadecoateGenerator
PalmitinateGenerator
PentadecanecarboxylateGenerator
Acid, hexadecanoicMeSH
Acid, palmiticMeSH
Edenor C16HMDB
Emersol 140HMDB
Emersol 143HMDB
Glycon P-45HMDB
Hexadecanoate (N-C16:0)HMDB
Hexadecanoic acid palmitic acidHMDB
HydrofolHMDB
Hydrofol acid 1690HMDB
Hystrene 8016HMDB
Hystrene 9016HMDB
Industrene 4516HMDB
Kortacid 1698HMDB
Loxiol ep 278HMDB
Lunac P 95HMDB
Lunac P 95KCHMDB
Lunac P 98HMDB
PalmitoateHMDB
Palmitoic acidHMDB
PAMHMDB
PLMHMDB
Prifac 2960HMDB
Prifrac 2960HMDB
Pristerene 4934HMDB
Univol u332HMDB
FA(16:0)HMDB
Chemical FormulaC16H32O2
Average Molecular Mass256.424 g/mol
Monoisotopic Mass256.240 g/mol
CAS Registry Number1957-10-03
IUPAC Namehexadecanoic acid
Traditional Namepalmitic acid
SMILESCCCCCCCCCCCCCCCC(O)=O
InChI IdentifierInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChI KeyIPCSVZSSVZVIGE-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentLong-chain fatty acids
Alternative Parents
Substituents
  • Long-chain fatty acid
  • Straight chain fatty acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginEndogenous
Cellular Locations
  • Cytoplasm
  • Endoplasmic reticulum
  • Extracellular
  • Membrane
  • Peroxisome
Biofluid LocationsNot Available
Tissue Locations
  • Adipose Tissue
  • Bladder
  • Epidermis
  • Fibroblasts
  • Kidney
  • Platelet
  • Prostate
  • Skeletal Muscle
  • Stratum Corneum
PathwaysNot Available
ApplicationsNot Available
Biological Roles
Chemical Roles
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting Point61.8 °C
Boiling Point350°C (662°F)
Solubility4e-05 mg/mL
Predicted Properties
PropertyValueSource
Water Solubility0.00041 g/LALOGPS
logP7.23ALOGPS
logP6.26ChemAxon
logS-5.8ALOGPS
pKa (Strongest Acidic)4.95ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.3 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity77.08 m³·mol⁻¹ChemAxon
Polarizability34.36 ųChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (1 TMS)splash10-014i-0901000000-51ee83f9462d25fa4045Spectrum
GC-MSGC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (1 TMS)splash10-0100-9700000000-3d8b6cf4736afa482b57Spectrum
GC-MSGC-MS Spectrum - GC-MS (1 TMS)splash10-0159-2901000000-fb423e89a78708021db1Spectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0abc-9110000000-6d7f0dbe5b588850b941Spectrum
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-014i-0901000000-51ee83f9462d25fa4045Spectrum
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0100-9700000000-3d8b6cf4736afa482b57Spectrum
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-0159-2901000000-fb423e89a78708021db1Spectrum
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-0159-2901000000-fb423e89a78708021db1Spectrum
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-014i-1900000000-d7638a578d846871e670Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9610000000-f75185fa40c090817f46Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positivesplash10-022i-9440000000-7d3a81432d58729f9f98Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, PositiveNot AvailableSpectrum
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Negative (Annotated)splash10-0a4i-0090000000-39c3a0e17432781e9760Spectrum
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated)splash10-0a4i-0090000000-8ec1a6953701fc22ce27Spectrum
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated)splash10-0fba-9200000000-23c995bf81d5ef609489Spectrum
LC-MS/MSLC-MS/MS Spectrum - EI-B (HITACHI M-80) , Positivesplash10-0abc-9110000000-12f1884d67998fb924a5Spectrum
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF , Negativesplash10-004i-0091010000-6922411e48d747e592b5Spectrum
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF 30V, Negativesplash10-004i-0091010000-6922411e48d747e592b5Spectrum
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF 10V, Negativesplash10-004i-0091010000-6922411e48d747e592b5Spectrum
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF 20V, Negativesplash10-004i-0091010000-6922411e48d747e592b5Spectrum
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF , Negativesplash10-0a4i-0091000000-4f6858c1cc0f04cbabf5Spectrum
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF , Negativesplash10-0a4i-0090000000-14e58eecd83ba52123c2Spectrum
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF 30V, Negativesplash10-0a4i-0090000000-c3f9f4d5c336137b7fcfSpectrum
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF 10V, Negativesplash10-0a4i-0090000000-47919da3faa8e0f52bbcSpectrum
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF 20V, Negativesplash10-0a4i-0090000000-fdd9e98416da12470fe9Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0090000000-26bb4965a56ab0e82b49Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-06rj-5790000000-251700f3edf9a5af04cdSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-052f-9600000000-5b75a67e276017f221b8Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0090000000-26bb4965a56ab0e82b49Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-06rj-5790000000-251700f3edf9a5af04cdSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-052f-9600000000-5b75a67e276017f221b8Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0090000000-e4a4200bd25f8fa480ccSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0bti-1090000000-768a48058fc0a2d7a877Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4l-9320000000-c9714c7ffdc804bf9323Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0090000000-e4a4200bd25f8fa480ccSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0bti-1090000000-768a48058fc0a2d7a877Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4l-9320000000-c9714c7ffdc804bf9323Spectrum
MSMass Spectrum (Electron Ionization)splash10-06xx-9100000000-7ac9cd088cb9cb9f7560Spectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
2D NMR[1H,13C] 2D NMR SpectrumNot AvailableSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
StatusValueUnitSample LocationReference
DrugBank IDDB03796
HMDB IDHMDB0000220
FooDB IDFDB011679
Phenol Explorer IDNot Available
KNApSAcK IDC00030479
BiGG ID34386
BioCyc IDPALMITATE
METLIN ID187
PDB IDNot Available
Wikipedia LinkPalmitic_acid
Chemspider ID960
ChEBI ID15756
PubChem Compound ID985
Kegg Compound IDC00249
YMDB IDYMDB00069
ECMDB IDECMDB00220
References
Synthesis ReferenceXu, Yan; Ling, Li. A method for preparing conjugated linoleic acid and palmitic acid. Faming Zhuanli Shenqing Gongkai Shuomingshu (2005), 5 pp.
MSDSLink
General References
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