HEPTANE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H16
Molecular Weight	100.2019
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCC

InChI

InChIKey=IMNFDUFMRHMDMM-UHFFFAOYSA-N

InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/29601860

Heptane (or n-heptane) is used in laboratories as a non-polar solvent. Recently published article describes the biological monitoring of the n-heptane exposure by its metabolite concentrations and the time course of metabolite excretion.

Approval Year

PubMed

Title	Date	PubMed
Simple method for the selection of the appropriate food simulant for the evaluation of a specific food/packaging interaction.	2002	11962708
Evaluating the potential for recycling all PET bottles into new food packaging.	2002	11962702
Temperature effects on the retention of n-alkanes and arenes in helium-squalane gas-liquid chromatography. Experiment and molecular simulation.	2002 Apr 19	12058902
Stationary phase effects on the dynamic affinity of low-molecular-mass displacers.	2002 Apr 19	12058897
Continuous hydroamination in a liquid-liquid two-phase system.	2002 Apr 21	12123038
Comparative effects of phthalate monoesters on gap junctional intercellular communication and peroxisome proliferation in rodent and primate hepatocytes.	2002 Apr 26	11995694
[Determination of alkylphenols, bisphenol A, benzophenone and phthalates in containers of baby food, and migration into food simulants].	2002 Aug	12436722
[Migration of di(2-ethylhexyl) phthalate from polyvinyl chloride tubes used in preparation of foods].	2002 Aug	12436721
[Identification of unknown substances in polyvinyl chloride gloves containing non-phthalate plasticizers].	2002 Aug	12436713
Design and synthesis of novel imidazole derivatives as potent inhibitors of allene oxide synthase(CYP74).	2002 Dec	12413826
In vitro permeability and binding of hydrocarbons in pig ear and human abdominal skin.	2002 Feb	11850972
Synthesis of homoceramides, novel ceramide analogues, and their lack of effect on the growth of hippocampal neurons.	2002 Feb 8	11856049
Environmental damage and occlusal contact area wear of composite restoratives.	2002 Jan	11844037
Photocatalytic oxidation of heptane in the gas-phase over TiO2.	2002 Jan	11806538
Excited state proton transfer reaction of two new intramolecularly hydrogen bonded Schiff bases at room temperature and 77K.	2002 Jan 1	11808646
Influence of analyte overloading on retention in gas-liquid chromatography: a molecular simulation view.	2002 Jan 1	11795813
Solvent extraction of arsenic(V) with dispersed ultrafine magnetite particles.	2002 Jul	12137375
The role of the peripheral benzodiazepine receptor in photodynamic activity of certain pyropheophorbide ether photosensitizers: albumin site II as a surrogate marker for activity.	2002 Jul	12126312
Comparison of models for the estimation of biological partition coefficients.	2002 Jul 12	12133236
Molecular simulation of concurrent gas-liquid interfacial adsorption and partitioning in gas-liquid chromatography.	2002 Jul 15	12139063
N(4)C-alkyl-N(4)C cross-linked DNA: bending deformations in duplexes that contain a -CNG- interstrand cross-link.	2002 Jul 9	12093277
DNA sequence recognition of thiazole-containing cross-linked polyamides can be favored.	2002 Jun	12023812
Antimicrobial activity of 9-O-acyl- and 9-O-alkylberberrubine derivatives.	2002 Mar	11914971
[Fatal inhalation of butane-propane gas].	2002 May-Jun	12134759
Isolation and identification of some unknown substances in disposable nitrile-butadiene rubber gloves used for food handling.	2002 Nov	12456282
[Photocatalytic oxidation of airborne VOCs on TiO2].	2002 Oct	12572365
Wet effluent diffusion denuder technique and the determination of volatile organic compounds in air. II. Monoterpenes.	2002 Oct 11	12437180
Polymeric membranes for aromatic/aliphatic separation processes.	2002 Oct 18	12465184
Measurement of ultralow interfacial tension with a laser interface manipulation technique.	2002 Sep	12366127
[Identification of migrants from nitrile-butadiene rubber gloves].	2003 Apr	12846157
Comparison of three spectrophotometric methods for the determination of gamma-oryzanol in rice bran oil.	2003 Apr	12733048
Estimation of octanol-water partition coefficients for neutral and weakly acidic compounds by microemulsion electrokinetic chromatography using dynamically coated capillary columns.	2003 Aug 15	12906900
A novel double heme substitution produces a functional bo3 variant of the quinol oxidase aa3 of Bacillus cereus. Purification and paratial characterization.	2003 Aug 22	12805383
[Simulation of migration from internal can coatings].	2003 Feb	12749194
Alkylphenol and bisphenol A levels in rubber products.	2003 Jan	12519724
Analytical aspects of volatile substance abuse (VSA).	2003 Jul	12877311
Diffusion in an inhomogeneous system: NMR studies of diffusion in highly concentrated emulsions.	2003 Jul 1	12804912
Catalytic reduction of dinitrogen to ammonia at a single molybdenum center.	2003 Jul 4	12843387
N,N'-disubstituted ureas: influence of substituents on the formation of supramolecular polymers.	2003 Jul 7	12833282
Phase-selective solubility of poly(N-alkylacrylamide)s.	2003 Jul 9	12837095
Sequential one-step extraction and analysis of triacylglycerols and fatty acids in plant tissues.	2003 Jun 15	12758264
Characterisation of methionine adenosyltransferase from Mycobacterium smegmatis and M. tuberculosis.	2003 Jun 16	12809568
Homogeneous catalysts supported on soluble polymers: biphasic Sonogashira coupling of aryl halides and acetylenes using MeOPEG-bound phosphine-palladium catalysts for efficient catalyst recycling.	2003 Mar 17	12645031
Determination of cholecalciferol (vitamin D3) in selected foods by liquid chromatography: NMKL collaborative study.	2003 Mar-Apr	12723924
In vivo percutaneous absorption, skin barrier perturbation, and irritation from JP-8 jet fuel components.	2003 May	12816398
Effects of gamma- and electron-beam irradiation on semi-rigid amorphous polyethylene terephthalate copolymers.	2003 May	12775470
Microemulsion electrokinetic chromatography for the analysis of green tea catechins: effect of the cosurfactant on the separation selectivity.	2003 May	12761797
Nucleophilic displacements in supercritical carbon dioxide under phase-transfer catalysis conditions. 2. Effect of pressure and kinetics.	2003 May 16	12737589
Self-assembled monolayers of novel surface-bound dendrons: peripheral structure determines surface organization.	2003 May 23	12772308
[N-acetylmuramyl-L-alanyl-D-isoglutamine glycosides. Effect of glycoside center configuration and aglycone nature on biological activity].	2003 May-Jun	12845808

Patents

Sample Use Guides

In Vivo Use Guide

Twenty healthy, non-smoking males (aged 19-38 years, median 25.5) were exposed for 3 h to 167, 333 and 500 ppm n-heptane, each

Route of Administration: Respiratory

Name

Type

Language

HEPTANE

Official Name

English

N-HEPTANE [MI]

Common Name

English

NSC-62784

Code

English

HEPTANE [II]

Common Name

English

HEPTANE [USP-RS]

Common Name

English

N-HEPTANE

Common Name

English

HEPTANE [HSDB]

Common Name

English

HEPTANE [INCI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m5964