Myristic acid
Athanor · official
C14H28O2 · 228.37 g/mol
IUPAC name: tetradecanoic acid
Also called tetradecanoic acid, C14:0, myristate
WarningCauses serious eye irritationNames and identifiers
- IUPAC name
- tetradecanoic acid
- Synonyms
- tetradecanoic acid, C14:0, myristate
+ 37 more
Tetradecanoic acid, n-Tetradecanoic acid, n-Tetradecoic acid, n-Tetradecan-1-oic acid, Crodacid, 1-Tridecanecarboxylic acid, Hystrene 9014, Hydrofol acid 1495, Univol U 316S, Emery 655, Myristinsaeure, Myristic acid, pure, tetradecoic acid, FEMA No. 2764, DTXSID6021666, NSC-5028, PHILACID-1400, PRIFRAC-2942, Acid, Tetradecanoic, 0I3V7S25AW, CHEBI:28875, DTXCID501666, Acid, Myristic, fatty acid 14:0, RefChem:6045, 208-875-2, Myristic acid (natural), NSC 5028, Philacid 1400, CCRIS 4724, HSDB 5686, EINECS 208-875-2, acide tetradecanoique, CH3-[CH2]12-COOH, MyristicAcid-13C14, AI3-15381, tridecanecarboxylic acid
- Molecular formula
- C14H28O2
- Empirical formula
- C7H14O
- Molecular weight
- 228.37 g/mol
- Exact mass
- 228.20893
- CAS number
- 544-63-8
- PubChem CID
- 11005
- Canonical SMILES
- CCCCCCCCCCCCCC(=O)O
- Isomeric SMILES
- CCCCCCCCCCCCCC(=O)O
- InChI
- InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
- InChIKey
- TUNFSRHWOTWDNC-UHFFFAOYSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Physical properties
TemperaturePressureDensity
- Appearance
- Leaflets from ethyl ether[3]
4 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source – Tetradecanoic acid is an oily white crystalline solid. (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. – Liquid; Liquid; Other Solid; Dry Powder; Other Solid [2] EPA Chemical Data Reporting (CDR) – Oily, white, crystalline solid [3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 768 –shown Leaflets from ethyl ether [3] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5: 5004 - Odor
- The odor should be faint with no rancidity.[3]
- Melting point
- 53.9 °C[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source 54 °C 129 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 53.9 °Cshown 53.9 °C [3] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5: 5004 54 °C 54 °C [4] PAC Chemical Database, U.S. Department of Energy - Boiling point
- 326.2 °C[3]
3 values
2 of 2 sources agree on it (most common value).
Value As written Source 250.5 °C 482.9 °F at 100 mmHg (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 326.2 °Cshown 326.2 °C [3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 768 326.2 °C 326.2 °C @760 [mm Hg] [4] PAC Chemical Database, U.S. Department of Energy - Density
- 0.8622 at 54 °C/4 °C[3]
3 values
Only one source reports it.
Value As written Source – 0.8622 at 129 °F (NTP, 1992) - Less dense than water [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 0.8622 g/mLshown 0.8622 at 54 °C/4 °C [3] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5: 5004 – 0.8622 @ 54°C [4] PAC Chemical Database, U.S. Department of Energy - Solubility in water
- In water, 22 mg/L at 30 °C[3]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source – less than 1 mg/mL at 64 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. – Slightly soluble in ethyl ether; soluble in ethanol, acetone, chloroform, methanol; very soluble in benzene [3] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5: 5004 –shown In water, 22 mg/L at 30 °C [3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan., Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. CRC Press LLC, Boca Raton, FL. 2003., p. 987 - log P
- log Kow = 6.11[3]
- pKa
- pKa = 4.90[3]
- Vapor pressure
- 1.40 × 10⁻⁶ mmHg at 25 °C[3]
4 values
Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.
Value As written Source 1 mmHg 1 mmHg at 288 °F [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 5 mmHg 5 mmHg at 345 °F [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 760 mmHg 760 mmHg at 604 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 0.0000014 mmHgshown 1.40X10-6 mm Hg at 25 °C [3] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989. - Flash point
- greater than 113 °C (235 °F, NTP 1992)[1]
- Viscosity
- Reported, but no value passed the checks.
The value and why
- 5.83 mPa sec at 70 °C (could not be read; source [3])
- Refractive index
- Index of refraction: 1.4723 at 70 °C/D[3]
Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.
Calculated
- Heavy atoms
- 16
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0.93
- H-bond donors
- 1
- H-bond acceptors
- 1 computed here · PubChem 2
- Rotatable bonds
- 12
- TPSA (Ų)
- 37.3
- Formal charge
- 0
- XLogP3
- 5.3 PubChem
- Complexity
- 155 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C73.63%
- H12.36%
- O14.01%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- 4.77 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -3.47 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 1.64 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 228.38
- log P ≤ 5 (Crippen): 4.77
- H-bond donors ≤ 5: 1
- H-bond acceptors ≤ 10: 1
Passes all four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
Warning
Most widely reported: 2,717 company reports to ECHA. Source [5].
- Harmful or irritant
- H319Causes serious eye irritation (13.2% of reports)
Precautionary statements: P264+P265, P280, P305+P351+P338, P337+P317
View all classifications (2)
- [5] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 80.5% (2188 of 2717) of all reports.
- [5] European Chemicals Agency (ECHA) · 2,717 reports · WarningH319
First aid
- Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
Safety data sheets on the supplier’s page: Ambeed, Acmec Biochemical, A2B Chem.
Always read the supplier’s safety data sheet before working with it.
Spectra
- NMRHazardous Substances Data Bank (HSDB)
- 1H NMRHuman Metabolome Database (HMDB) (Varian · 500 MHz · CDCl3) · Human Metabolome Database (HMDB) (Bruker · CDCl3) · SpectraBase (Varian A-60)
- 13C NMRHuman Metabolome Database (HMDB) (Varian · 25.16 MHz · CDCl3) · Human Metabolome Database (HMDB) (Bruker · CDCl3) · SpectraBase
- 1H-13C NMRHuman Metabolome Database (HMDB) (Bruker · 600 MHz · CDCl3)
- GC-MSHuman Metabolome Database (HMDB) (GC-MS) · Human Metabolome Database (HMDB) (GC-EI-TOF · positive) · MassBank of North America (MoNA) (GC-MS) · MassBank of North America (MoNA) (positive) · MassBank of North America (MoNA) (GC-HRMS (Agilent 7200 GC/Q-TOF) · GC-HRMS · positive) · NIST Mass Spectrometry Data Center
- MS-MSHuman Metabolome Database (HMDB) (LC-ESI-QTOF · positive) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Quattro_QQQ · Negative) · Human Metabolome Database (HMDB) (Quattro_QQQ · Negative)
- LC-MSMassBank Europe (Agilent 6560 QTOF · LC-ESI-QTOF · NEGATIVE) · MassBank Europe (Agilent 6560 QTOF · LC-ESI-QTOF · NEGATIVE) · MassBank Europe (maXis plus UHR-ToF-MS, Bruker Daltonics · LC-ESI-QTOF · POSITIVE) · MassBank Europe (Bruker impact HD · LC-ESI-QTOF · NEGATIVE) · MassBank Europe (Bruker impact HD · LC-ESI-QTOF · NEGATIVE) · MassBank Europe (Bruker impact HD · LC-ESI-QTOF · NEGATIVE)
- Other MSHazardous Substances Data Bank (HSDB) · MassBank of North America (MoNA) (ESI-TOF · negative) · MassBank of North America (MoNA) (ESI-TOF · negative) · MassBank of North America (MoNA) (ESI-TOF · negative)
- UVHazardous Substances Data Bank (HSDB)
- IRHazardous Substances Data Bank (HSDB)
- FTIRSpectraBase (MELT (CRYSTALLINE PHASE))
- ATR-IRSpectraBase (Bruker Tensor 27 FT-IR · ATR-Neat (DuraSamplIR II))
- Near IRSpectraBase (INSTRUMENT PARAMETERS=INST=BRUKER,RSN=20683,REO=2,CNM=BD,ZFF=2 · NIR Spectrometer= BRUKER IFS 88)
- Vapor Phase IRSpectraBase (DIGILAB FTS-14 · Vapor Phase)
- RamanSpectraBase (Bruker MultiRAM Stand Alone FT-Raman Spectrometer · FT-Raman)
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
- [2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
- [3]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
- [4]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
- [5]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [6]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [7]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [8]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [9]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- [10]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.