Results for:
PubChem ID: 11005

Tetradecanoic Acid

Mass-Spectra

Compound Details

Synonymous names
Tetradecanoic acid
MYRISTIC ACID
544-63-8
n-Tetradecanoic acid
Crodacid
n-Tetradecan-1-oic acid
n-Tetradecoic acid
1-Tridecanecarboxylic acid
Myristate
Hydrofol acid 1495
Myristinsaeure
Univol U 316S
Emery 655
tetradecoic acid
Hystrene 9014
Myristic acid, pure
FEMA No. 2764
Myristic acid (natural)
acide tetradecanoique
n-Myristic acid
NSC 5028
CCRIS 4724
HSDB 5686
Philacid 1400
C14:0
Prifac 2942
CH3-[CH2]12-COOH
CHEBI:28875
AI3-15381
NSC-5028
1-tetradecanecarboxylic acid
EINECS 208-875-2
PHILACID-1400
UNII-0I3V7S25AW
PRIFRAC-2942
BRN 0508624
0I3V7S25AW
DTXSID6021666
Edenor C 14
Acid, Myristic
MyristicAcid-13C14
CHEMBL111077
DTXCID501666
MYRISTIC-14-13C ACID
NSC5028
4-02-00-01126 (Beilstein Handbook Reference)
MFCD00002744
FA 14:0
n-tetradecan-1-oate
MYRISTIC ACID (II)
MYRISTIC ACID [II]
32112-52-0
MYRISTIC ACID (MART.)
MYRISTIC ACID [MART.]
MYRISTIC ACID (USP-RS)
MYRISTIC ACID [USP-RS]
CH3-(CH2)12-COOH
CAS-544-63-8
Acid, Tetradecanoic
Myristic acid [NF]
62217-70-3
myristoate
myristoic acid
n-Tetradecanoate
Tetradecanoicacid
3usx
Myristic acid pure
fatty acid 14:0
Hystrene 9514
TETRADECANSAEURE
1-Tridecanecarboxylate
ACIDO MYNISTICO
MAGNESIUMARSENATE
Myristic acid, 95%
Myristic acid, natural
tridecanecarboxylic acid
Myristic acid (8CI)
Myristic Acid, Reagent
3v2n
3w9k
Myristic acid, puriss.
Univol U 3165
Myristic acid, ?99%
Tetradecanoic acid (9CI)
bmse000737
Epitope ID:176772
MYRISTIC ACID [MI]
SCHEMBL6374
MYRISTIC ACID [FCC]
MYRISTIC ACID [FHFI]
MYRISTIC ACID [HSDB]
MYRISTIC ACID [INCI]
MLS002152942
WLN: QV13
Tetradecanoic (Myristic) acid
GTPL2806
NAA 104
NAA 142
IS_D27-TETRADECANOIC ACID
HMS3039E15
HMS3648O20
Myristic acid, analytical standard
HY-N2041
EINECS 250-924-5
Myristic acid, >=98.0% (GC)
Tox21_201852
Tox21_302781
BDBM50147581
LMFA01010014
s5617
STL185697
Myristic acid, >=95%, FCC, FG
Myristic acid, Sigma Grade, >=99%
AKOS009156714
CCG-266785
DB08231
DS-3833
MCULE-9671122893
NSC 122834
NCGC00091068-01
NCGC00091068-02
NCGC00091068-03
NCGC00256547-01
NCGC00259401-01
AC-34674
BP-27915
SMR001224536
CS-0018531
M0476
NS00010444
EN300-78099
C06424
G74510
Myristic acid, Vetec(TM) reagent grade, 98%
Q422658
SR-01000854525
MYRISTIC ACID (CONSTITUENT OF SAW PALMETTO)
SR-01000854525-3
W-109088
F8889-5016
Z1954802504
EDAE4876-C383-4AD4-A419-10C0550931DB
MYRISTIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]
Myristic acid, United States Pharmacopeia (USP) Reference Standard
Tetradecanoic acid; 1-Tridecanecarboxylic acid; n-Tetradecanoic acid
Myristic acid, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC nametetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O
InchiInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
FormulaC14H28O2
PubChem ID11005
Molweight228.37
LogP5.3
Atoms16
Bonds12
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID28875
Supernatural-IDSN0360365

mVOC Specific Details

Boiling Point
DegreeReference
326.2 °C peer reviewed
Volatilization
A pKa of 4.90(1) indicates myristic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). Myristic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.4X10-6 mm Hg(3).
Literature: (1) Barratt MD; Toxicol In Vitro 10:85-94 (1996) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Domination. Design Inst Phys Prop Data, Amer Inst Chem Eng. NY, NY: Hemisphere Pub. Corp 4 Vol (1989)
Soil Adsorption
The Koc of myristic acid is estimated as 50,000 fro the free acid(SRC), using a log Kow of 6.11(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated myristic acid is expected to be immobile in soil. The pKa of myristic acid is 4.90(4), indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank, Sangster Res Lab, Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Barratt MD; Toxicol In Vitro 10:85-94 (1996) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
1.40X10-6 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
MS-MS Spectrum 22162
MS-MS Spectrum 201392
MS-MS Spectrum 22161
MS-MS Spectrum 4684 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 21182
MS-MS Spectrum 22735
MS-MS Spectrum 4683 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 20611
MS-MS Spectrum 4682 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 201390
MS-MS Spectrum 22734
MS-MS Spectrum 1150 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 22733
MS-MS Spectrum 201389
MS-MS Spectrum 20609
MS-MS Spectrum 21183
MS-MS Spectrum 4686 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative
MS-MS Spectrum 22160
MS-MS Spectrum 201388
MS-MS Spectrum 201391
MS-MS Spectrum 4685 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 21184
MS-MS Spectrum 201387
MS-MS Spectrum 1151 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 20610
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNATejero Rioseras et al. 2017
ProkaryotaBacillus Subtilisantibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2018
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesCampos Ziegenbein et al. 2006
ProkaryotaPrevotella Buccaen/aNABrondz and Olsen 1991
ProkaryotaPrevotella Orisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Oralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Disiensn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Veroralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Heparinolyticusn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Fragilisn/aNABrondz and Olsen 1991
ProkaryotaPorphyromonas Endodontalisn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Gracilisn/aNABrondz and Olsen 1991
ProkaryotaCampylobacter Fetusn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Ureolyticusn/aNABrondz and Olsen 1991
ProkaryotaWolinella Succinogenesn/aNABrondz and Olsen 1991
ProkaryotaWolinella Curvan/aNABrondz and Olsen 1991
ProkaryotaWolinella Rectan/aNABrondz and Olsen 1991
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
ProkaryotaLactobacillus Casein/aNATracey and Britz 1989
ProkaryotaLactobacillus Plantarumn/aNATracey and Britz 1989
ProkaryotaPediococcus Damnosusn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Cremorisn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Dextranicumn/aNATracey and Britz 1989
ProkaryotaLactococcus Lactisn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Mesenteroidesn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Paramesenteroidesn/aNATracey and Britz 1989
ProkaryotaOenococcus Oenin/aNATracey and Britz 1989
ProkaryotaBurkholderia Andropogonisn/aNABlom et al. 2011
ProkaryotaBurkholderia Graminisn/aNABlom et al. 2011
ProkaryotaBurkholderia Latan/aNABlom et al. 2011
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Tropican/aNABlom et al. 2011
ProkaryotaPseudomonas Chlororaphisn/aNABlom et al. 2011
ProkaryotaPseudomonas Fluorescensn/aNABlom et al. 2011
ProkaryotaPseudomonas Putidan/aNABlom et al. 2011
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaeyeast nitrogen base, 2% glucoseSESI-HRMSno
ProkaryotaBacillus SubtilisLBSPME-GC-MSyes
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaSpongiporus LeucomallellusnaGC/MSno
ProkaryotaPrevotella Buccaen/an/ano
ProkaryotaPrevotella Orisn/an/ano
ProkaryotaPrevotella Oralisn/an/ano
ProkaryotaPrevotella Disiensn/an/ano
ProkaryotaPrevotella Veroralisn/an/ano
ProkaryotaPrevotella Heparinolyticusn/an/ano
ProkaryotaBacteroides Fragilisn/an/ano
ProkaryotaPorphyromonas Endodontalisn/an/ano
ProkaryotaBacteroides Gracilisn/an/ano
ProkaryotaCampylobacter Fetusn/an/ano
ProkaryotaBacteroides Ureolyticusn/an/ano
ProkaryotaWolinella Succinogenesn/an/ano
ProkaryotaWolinella Curvan/an/ano
ProkaryotaWolinella Rectan/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano
ProkaryotaLactobacillus Casein/an/ano
ProkaryotaLactobacillus Plantarumn/an/ano
ProkaryotaPediococcus Damnosusn/an/ano
ProkaryotaLeuconostoc Cremorisn/an/ano
ProkaryotaLeuconostoc Dextranicumn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaLeuconostoc Mesenteroidesn/an/ano
ProkaryotaLeuconostoc Paramesenteroidesn/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaBurkholderia AndropogonisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GraminisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PyrrociniaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TropicaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas ChlororaphisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas FluorescensMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas PutidaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno