U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H14
Molecular Weight 86.1754
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Hexane

SMILES

CCCCCC

InChI

InChIKey=VLKZOEOYAKHREP-UHFFFAOYSA-N
InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H14
Molecular Weight 86.1754
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Characterization of de-emulsification capabilities of a Micrococcus species.
2001-08
Polycyclic aromatic hydrocarbon (PAH) emissions from a coal-fired pilot FBC system.
2001-06-29
Synthesis, aggregation, and adsorption phenomena of shape-persistent macrocycles with extraannular polyalkyl substituents.
2001-06-20
Fabrication and characterization of metal-molecule-metal junctions by conducting probe atomic force microscopy.
2001-06-13
Solid phase extraction gas chromatography/electron capture detector method for the determination of organochlorine pesticides in wildlife whole blood.
2001-06
Lipophyllic antioxidants from Iryanthera juruensis fruits.
2001-06
Subclinical immunologic and physiologic responses in hexamethylene diisocyanate-exposed auto body shop workers.
2001-06
The suitability of hexyl cinnamic aldehyde as a calibrant for the murine local lymph node assay.
2001-06
Inhibitory activity of xanthine-oxidase and superoxide scavenger properties of Inga verna subsp. affinis. Its morphological and micrographic characteristics.
2001-06
The effect of rigidity, shape, unsaturation, and length on the anesthetic potency of hydrocarbons.
2001-06
Solid-phase extraction with styrene-divinylbenzene sorbent for high-performance liquid or gas chromatographic determination of urinary chloro- and methylthiotriazines.
2001-05-25
Normal-phase high-performance liquid chromatographic separations using ethoxynonafluorobutane as hexane alternative. I. Analytical and chiral applications.
2001-05-25
Antifeedants against Acusta despesta from the Japanese cedar, Cryptomeria japonica.
2001-05-24
Simultaneous determination of the HIV protease inhibitors indinavir, amprenavir, saquinavir, ritonavir and nelfinavir in human plasma by high-performance liquid chromatography.
2001-05-05
High-performance liquid chromatographic method for the determination of di(2-ethylhexyl) phthalate in total parenteral nutrition and in plasma.
2001-05-05
In vitro and in vivo investigations into the biocompatibility of diamond-like carbon (DLC) coatings for orthopedic applications.
2001-05-01
Evaluation of mutagenic activity of several antimalarial extracts from Eupatorium inulaefolium.
2001-05
Analysis of ubidecarenone (CoQ10) aqueous samples using reversed phase liquid chromatography.
2001-05
Adsorption behaviour of some aromatic amines on pyrolusite and activated carbon and recovery of beta napthylamine from water sample.
2001-05
Nutritional quality of sesame seed protein fraction extracted with isopropanol.
2001-05
Photodegradation of 1-(2-chlorobenzoyl)-3-(4-chlorophenyl) urea in different media and toxicity of its reaction products.
2001-05
Eleven phthalate esters and di(2-ethylhexyl) adipate in one-week duplicate diet samples obtained from hospitals and their estimated daily intake.
2001-05
Cytotoxic activity of Typhonium flagelliforme (Araceae).
2001-05
Estimation of triterpenoids from Heliotropium marifolium Koen. ex Retz. in vivo and in vitro. I. Antimicrobial screening.
2001-05
Quantitative determination of plasma c8-c26 total fatty acids for the biochemical diagnosis of nutritional and metabolic disorders.
2001-05
Supercritical fluids are superior media for catalysis by cross-linked enzyme microcrystals of subtilisin Carlsberg.
2001-04-21
Asymmetric ketone reduction with immobilized yeast in hexane: biocatalyst deactivation and regeneration.
2001-04-21
Lanthanide-mediated ligand transfer reactions--a route to late transition metal bisamido complexes.
2001-04-17
Raman spectroscopy of octadecylsilane stationary phase conformational order. Effect of solvent.
2001-04-13
Small-angle X-ray scattering analysis of stearic acid modified lipase.
2001-04
Dammarane derivatives from the dried fruits of Forsythia suspensa.
2001-04
The molecular and crystal structure of tert-butyl Nalpha-tert-butoxycarbonyl-L-(S-trityl)cysteinate and the conformation-stabilizing function of weak intermolecular bonding.
2001-04
Preparative HPLC method for the purification of sulforaphane and sulforaphane nitrile from Brassica oleracea.
2001-04
Centrifugal precipitation chromatography -- a novel chromatographic system for fractionation of polymeric pigments from black tea and red wine.
2001-04
Selective enrichment of 17 pyrethroids from lyophilised agricultural samples.
2001-03-30
Size analysis of automobile soot particles using field-flow fractionation.
2001-03-15
Production of toxaphene enantiomers by enantioselective HPLC after isolation of the compounds from an anaerobically degraded technical mixture.
2001-03-01
No background concentrations of di(2-ethylhexyl) phthalate and mono(2-ethylhexyl) phthalate in blood of rats.
2001-03
Purification and characterization of the enantioselective nitrile hydratase from Rhodococcus equi A4.
2001-03
Aromatic hydroxylation catalyzed by toluene 4-monooxygenase in organic solvent/aqueous buffer mixtures.
2001-03
Use of solvents in industries in Korea: experience in Sinpyeong-Jangrim industrial complex.
2001-03
Hypoglycemic and antihyperglycemic activity of Syzygium alternifolium (Wt.) Walp. seed extracts in normal and diabetic rats.
2001-03
Chemistry and bioactivity of Raulinoa echinata Cowan, an endemic Brazilian Rutaceae species.
2001-03
Anthelmintic activity of the stem bark extracts of Berlina grandiflora and one of its active principles, Betulinic acid.
2001-03
Optimized synthesis of lipase-catalyzed hexyl acetate in n-hexane by response surface methodology.
2001-03
[Effect of Cordyceps militaris on the damage of rats induced by n-hexane].
2001-02
Determination and distribution of diesel components in igneous rock surrounding underground diesel storage facilities in Sweden.
2001-01-15
The interaction of dietary carotenoids with radical species.
2001-01-01
Analysis of long-side-chain alkylaromatics in crude oil for evaluation of their fate in the environment.
2001-01-01
Effect of culture conditions on lipase production by Fusarium solani in batch fermentation.
2001-01
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:46:30 GMT 2025
Edited
by admin
on Mon Mar 31 17:46:30 GMT 2025
Record UNII
2DDG612ED8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Hexane
II   INCI  
INCI  
Official Name English
N-HEXANE
HSDB   MART.   MI  
Preferred Name English
N-HEXANE [HSDB]
Common Name English
NSC-68472
Code English
HEXANE [USP-RS]
Common Name English
N-HEXANE [MI]
Common Name English
HEXANE [II]
Common Name English
N-HEXANE [MART.]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 173.270
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
CFR 21 CFR 175.320
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
Code System Code Type Description
MESH
C026385
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
CONCEPT Industrial Aid
PUBCHEM
8058
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
RXCUI
1999411
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID0021917
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
NSC
68472
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
EVMPD
SUB71441
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
WIKIPEDIA
HEXANE
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
ECHA (EC/EINECS)
203-777-6
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
NCI_THESAURUS
C77545
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
FDA UNII
2DDG612ED8
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
MESH
D006586
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
CHEBI
29021
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
CAS
110-54-3
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
SMS_ID
100000135671
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
DAILYMED
2DDG612ED8
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
RS_ITEM_NUM
1601601
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
MERCK INDEX
m6002
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY Merck Index
HSDB
91
Created by admin on Mon Mar 31 17:46:30 GMT 2025 , Edited by admin on Mon Mar 31 17:46:30 GMT 2025
PRIMARY
Related Record Type Details
METABOLITE -> PARENT