PENTANE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H12
Molecular Weight	72.1488
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC

InChI

InChIKey=OFBQJSOFQDEBGM-UHFFFAOYSA-N

InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C5H12
Molecular Weight	72.1488
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/19445060 | https://www.ncbi.nlm.nih.gov/pubmed/22984587 | https://www.ncbi.nlm.nih.gov/pubmed/8375698

Pentane, an organic compound, an indicator of lipid peroxidation. Its normal concentration in the breath of healthy humans is lower than 10 pmoles/l. Breath pentane, which is produced by reactive oxygen species-mediated lipid peroxidation of n-6 polyunsaturated membrane fatty acids, is a marker of oxidative stress. Experiments on animals have shown that the breath pentane analysis could provide early, rapid, noninvasive and continuous assessment of lipid peroxidation during hepatic ischemia-reperfusion injury.

Approval Year

PubMed

Title	Date	PubMed
Determination of the boiling-point distribution by simulated distillation from n-pentane through n-tetratetracontane in 70 to 80 seconds.	2002-06-07	12049156
RIO: analyzing proteomes by automated phylogenomics using resampled inference of orthologs.	2002-05-16	12028595
Role of hydrophilic and hydrophobic contacts in folding of the second beta-hairpin fragment of protein G: molecular dynamics simulation studies of an all-atom model.	2002-05-01	11933062
[Automated analyser of organ cultured corneal endothelial mosaic].	2002-05	12048509
Nucleotide variation of the duplicated amylase genes in Drosophila kikkawai.	2002-05	11961101
A computer program to fit a family and community medicine set-up.	2002-05	11932029
[Mediators of amyloidogenesis and cytokines in dialysis-related amyloidosis].	2002-04-26	12038073
Continuous whey fermentation using kefir yeast immobilized on delignified cellulosic material.	2002-04-24	11958619
Tertiary pentyl groups enhance salen titanium catalyst for highly enantioselective trimethylsilylcyanation of aldehydes.	2002-04-19	11950323
Percutaneous delivery of thalidomide and its N-alkyl analogs.	2002-04	12033376
Electroantennogram responses of Nilaparvata lugens (Homoptera: Delphacidae) to plant volatile compounds.	2002-04	12020000
In vitro photodynamic activity of a series of methylene blue analogues.	2002-04	12003129
Expression, purification and preliminary crystallographic studies of alpha-amylase isozyme 1 from barley seeds.	2002-04	11914496
New diversity calculations algorithms used for compound selection.	2002-03-26	11911694
Extending the solid-phase microextraction technique to high analyte concentrations: measurements and thermodynamic analysis.	2002-03-01	11924960
Herbicidal action of 2-hydroxy-3-alkyl-1,4-naphthoquinones.	2002-03	11975168
Automatic tuned MRI RF coil for multinuclear imaging of small animals at 3T.	2002-03	11945031
Multiple sequence alignment using partial order graphs.	2002-03	11934745
Pharmacokinetic study of allixin, a phytoalexin produced by garlic.	2002-03	11911198
Digital imaging methods as an aid in dental identification of human remains.	2002-03	11908607
Viscosity dependence of optical limiting in carbon black suspensions.	2002-02-20	11900132
Detection and quantification of ochratoxin A and deoxynivalenol in barley grains by GC-MS and electronic nose.	2002-02-05	11845819
Low-temperature brewing by freeze-dried immobilized cells.	2002-02	11996222
Inhibition of [3H]ponasterone A binding by ecdysone agonists in the intact Kc cell line.	2002-02	11755060
Surface tension prediction for hydrocarbons and its application to level swell modelling.	2002-01-28	11744200
Acyl-CoAs from coenzyme ribozymes.	2002-01-22	11790093
Biofiltration of methyl tert-butyl ether vapors by cometabolism with pentane: modeling and experimental approach.	2002-01-15	11827059
Influence of analyte overloading on retention in gas-liquid chromatography: a molecular simulation view.	2002-01-01	11795813
Cytochrome c catalyses the formation of pentyl radical and octanoic acid radical from linoleic acid hydroperoxide.	2002-01-01	11742529
Evaporation rates of alkanes and alkanols from acoustically levitated drops.	2002-01	11939180
Physicochemical characterization and solubility analysis of thalidomide and its N-alkyl analogs.	2002-01	11837695
High speed homology search with FPGAs.	2002	11928482
An algorithm and program for finding sequence specific oligonucleotide probes for species identification.	2002	11882251
O-Methylephedrine: a versatile and highly efficient ortho-directing group. Synthesis of enantiopure 1,2-disubstituted ferrocene derivatives.	2001-12-28	11749622
Efficient scavenging of hydroxyl radicals and inhibition of lipid peroxidation by novel analogues of 1,3,7-trimethyluric acid.	2001-12-14	11798008
Natural J-coupling analysis: interpretation of scalar J-couplings in terms of natural bond orbitals.	2001-12-05	11724611
Drug use and sexual risk behavior among gay and bisexual men who attend circuit parties: a venue-based comparison.	2001-12-01	11707675
Set of novel tools for PCR primer design.	2001-12	11768662
Volatile components of the cyanobacterium Oscillatoria perornata (Skuja).	2001-12	11743797
Modulation of activity and substrate binding modes by mutation of single and double subsites +1/+2 and -5/-6 of barley alpha-amylase 1.	2001-12	11737209
Impairment of myocardial contractility by anticancer anthracyclines: role of secondary alcohol metabolites and evidence of reduced toxicity by a novel disaccharide analogue.	2001-11	11704647
Specificity modulation of barley alpha-amylase through biased random mutagenesis involving a conserved tripeptide in beta --> alpha loop 7 of the catalytic (beta/alpha)(8)-barrel domain.	2001-10-30	11669621
Molecular targets for cannabidiol and its synthetic analogues: effect on vanilloid VR1 receptors and on the cellular uptake and enzymatic hydrolysis of anandamide.	2001-10	11606325
A Java-based electronic healthcare record software for beta-thalassaemia.	2001-09-04	11772548
A virtual instrument for acquisition and analysis of the phonocardiogram and its internet-based application.	2001	11886669
Temperature fields during the development of autoignition in a rapid compression machine.	2001	11877997
Reactions of methyl radicals with propene at temperatures between 750 and 1000 K.	2001	11877994
Visual spatial memory is enhanced in female rats (but inhibited in males) by dietary soy phytoestrogens.	2001	11801187
Quantitative determination of medroxyprogesterone acetate in plasma by liquid chromatography/electrospray ion trap mass spectrometry.	2001	11675672
Virtual sonography through the Internet: volume compression issues.	2000-08-23	11720963

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:33:40 GMT 2025` Edited by `admin` on `Mon Mar 31 17:33:40 GMT 2025`
Record UNII	4FEX897A91
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PENTANE

Official Name

English

NSC-72415

Preferred Name

English

N-PENTANE

Common Name

English

Pentane [WHO-DD]

Common Name

English

PENTANE [USP-RS]

Common Name

English

PENTANE [MART.]

Common Name

English

PENTANE [MI]

Common Name

English

PENTANE [HSDB]

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

98001