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124-06-1 | Tetradecanoic acid, ethyl ester
CAS No: 124-06-1 Catalog No: AG000LCX MDL No:MFCD00008984
Product Description
Catalog Number:
AG000LCX
Chemical Name:
Tetradecanoic acid, ethyl ester
CAS Number:
124-06-1
Molecular Formula:
C16H32O2
Molecular Weight:
256.4241
MDL Number:
MFCD00008984
IUPAC Name:
ethyl tetradecanoate
InChI:
InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3
InChI Key:
MMKRHZKQPFCLLS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)OCC
EC Number:
204-675-4
UNII:
6995S49749
NSC Number:
8917
FEMA Number:
2445
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.24g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.43g/mol
Monoisotopic Mass:
256.24g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays. | Toxicology in vitro : an international journal published in association with BIBRA 20161201 |
| A new method for quantifying prenatal exposure to ethanol by microwave-assisted extraction (MAE) of meconium followed by gas chromatography-mass spectrometry (GC-MS). | Analytical and bioanalytical chemistry 20120701 |
| Multifunctional acyltransferases from Tetrahymena thermophila. | Lipids 20120401 |
| Characterization of the volatile profile of Brazilian Merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection. | Journal of chromatography. A 20120224 |
| Functional expression and characterization of five wax ester synthases in Saccharomyces cerevisiae and their utility for biodiesel production. | Biotechnology for biofuels 20120101 |
| Detection of fatty acid ethyl esters in skin surface lipids as biomarkers of ethanol consumption in alcoholics, social drinkers, light drinkers, and teetotalers using a methodology based on microwave-assisted extraction followed by solid-phase microextraction and gas chromatography-mass spectrometry. | Journal of analytical toxicology 20110501 |
| Determination of fatty acid ethyl esters in hair by GC-MS and application in a population of cocaine users. | Journal of pharmaceutical and biomedical analysis 20110405 |
| De novo biosynthesis of biodiesel by Escherichia coli in optimized fed-batch cultivation. | PloS one 20110101 |
| Determination of eight fatty acid ethyl esters in meconium samples by headspace solid-phase microextraction and gas chromatography-mass spectrometry. | Journal of separation science 20100701 |
| Quantitation of fatty acid ethyl esters in human meconium by an improved liquid chromatography/tandem mass spectrometry. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20100701 |
| Fatty acid ethyl ester concentrations in hair and self-reported alcohol consumption in 644 cases from different origin. | Forensic science international 20100320 |
| The effect of hair pigment on the incorporation of fatty acid ethyl esters (FAEE). | Alcohol and alcoholism (Oxford, Oxfordshire) 20090101 |
| Liquid chromatography-tandem mass spectrometry for fatty acid ethyl esters in meconium: assessment of prenatal exposure to alcohol in two European cohorts. | Journal of pharmaceutical and biomedical analysis 20081104 |
| Fatty acid ethyl esters in meconium are associated with poorer neurodevelopmental outcomes to two years of age. | The Journal of pediatrics 20080601 |
| Analysis of volatile compounds in beef fat by dynamic-headspace solid-phase microextraction combined with gas chromatography-mass spectrometry. | Journal of food science 20080601 |
| Ethanol contamination leads to Fatty acid ethyl esters in hair samples. | Journal of analytical toxicology 20080301 |
| Determination of volatile compounds in cider spirits by gas chromatography with direct injection. | Journal of chromatographic science 20070801 |
| [Effects of wheat leaf surface waxes on the feeding of two wheat aphid species]. | Ying yong sheng tai xue bao = The journal of applied ecology 20070801 |
| Investigation of fatty acid esters to replace isopropyl myristate in the sterility test for ophthalmic ointments. | Journal of pharmaceutical and biomedical analysis 20061116 |
| Design, synthesis, antibacterial, and QSAR studies of myristic acid derivatives. | Bioorganic & medicinal chemistry letters 20060601 |
| Comparison of transcripts in Phalaenopsis bellina and Phalaenopsis equestris (Orchidaceae) flowers to deduce monoterpene biosynthesis pathway. | BMC plant biology 20060101 |
| Squalene in hair--a natural reference substance for the improved interpretation of fatty acid ethyl ester concentrations with respect to alcohol misuse. | Forensic science international 20041029 |
| Wipe-test and patch-test for alcohol misuse based on the concentration ratio of fatty acid ethyl esters and squalene CFAEE/CSQ in skin surface lipids. | Forensic science international 20040716 |
| Concentration of fatty acid ethyl esters in hair of alcoholics: comparison to other biological state markers and self reported-ethanol intake. | Alcohol and alcoholism (Oxford, Oxfordshire) 20040101 |
| Population baseline of meconium fatty acid ethyl esters among infants of nondrinking women in Jerusalem and Toronto. | Therapeutic drug monitoring 20030601 |
| Effect of hair care and hair cosmetics on the concentrations of fatty acid ethyl esters in hair as markers of chronically elevated alcohol consumption. | Forensic science international 20030128 |
| Fatty Acid ethyl esters in scalp, pubic, axillary, beard and body hair as markers for alcohol misuse. | Alcohol and alcoholism (Oxford, Oxfordshire) 20030101 |
| Neonatal hair analysis as a biomarker for in utero alcohol exposure. | The New England journal of medicine 20021219 |
| Investigation of the factors influencing the release rates of cyclosporin A-loaded micro- and nanoparticles prepared by high-pressure homogenizer. | Journal of controlled release : official journal of the Controlled Release Society 20021205 |
| Fatty acid ethyl esters in hair as markers of alcohol consumption. Segmental hair analysis of alcoholics, social drinkers, and teetotalers. | Clinical chemistry 20011201 |
| Analysis of fatty acid ethyl esters in hair as possible markers of chronically elevated alcohol consumption by headspace solid-phase microextraction (HS-SPME) and gas chromatography-mass spectrometry (GC-MS). | Forensic science international 20010915 |
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