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
Functional Cyp2e1 is required for substantial in vivo formation of 2,5-hexanedione from n-hexane in the mouse.
2000 Dec
Skin sensitisation testing--new perspectives and recommendations.
2001 Apr
Wound healing activity of Opuntia ficus-indica.
2001 Feb
Emission spectra studies on the hydrogen-bonding complexes between p-methoxy-2-styrylquinoline and acids.
2001 Feb
Sensitive and rapid method for the simultaneous quantification of the HIV-protease inhibitors indinavir, nelfinavir, ritonavir, and saquinavir in human plasma by reversed-phase liquid chromatography.
2001 Feb
Glue solvent inhalation impairs host resistance to Mycobacterium bovis-induced infection in hamsters.
2001 Feb
Determination of RS,E/Z-tocotrienols by HPLC.
2001 Feb 16
Interaction of zinc on biomarker responses in rats exposed to 2,5-hexanedione by two routes of exposure.
2001 Feb 3
Antimutagenic activity of isoflavone from Pueraria lobata.
2001 Jan
Determination and distribution of diesel components in igneous rock surrounding underground diesel storage facilities in Sweden.
2001 Jan 15
Mixed dimer and mixed trimer complexes of nBuLi and a chiral lithium amide.
2001 Jan 19
Charge transport and carrier dynamics in liquids probed by THz time-domain spectroscopy.
2001 Jan 8
A high-performance liquid chromatographic assay for the determination of desbutylhalofantrine enantiomers in rat plasma.
2001 Jan-Apr
Chemical composition of turmeric oil--a byproduct from turmeric oleoresin industry and its inhibitory activity against different fungi.
2001 Jan-Feb
Solid phase extraction gas chromatography/electron capture detector method for the determination of organochlorine pesticides in wildlife whole blood.
2001 Jun
The suitability of hexyl cinnamic aldehyde as a calibrant for the murine local lymph node assay.
2001 Jun
Inhibitory activity of xanthine-oxidase and superoxide scavenger properties of Inga verna subsp. affinis. Its morphological and micrographic characteristics.
2001 Jun
The effect of rigidity, shape, unsaturation, and length on the anesthetic potency of hydrocarbons.
2001 Jun
Fabrication and characterization of metal-molecule-metal junctions by conducting probe atomic force microscopy.
2001 Jun 13
Anthelmintic activity of the stem bark extracts of Berlina grandiflora and one of its active principles, Betulinic acid.
2001 Mar
Selective oviposition by Aedes aegypti (Diptera: culicidae) in response to Mesocyclops longisetus (Copepoda: Cyclopoidea) under laboratory and field conditions.
2001 Mar
Production of toxaphene enantiomers by enantioselective HPLC after isolation of the compounds from an anaerobically degraded technical mixture.
2001 Mar 1
Synthesis and pharmacology of 3-isoxazolol amino acids as selective antagonists at group I metabotropic glutamic acid receptors.
2001 Mar 29
Antifeedants against Acusta despesta from the Japanese cedar, Cryptomeria japonica.
2001 Mar-Apr
Supercritical fluids are superior media for catalysis by cross-linked enzyme microcrystals of subtilisin Carlsberg.
2001 Mar-Apr
Asymmetric ketone reduction with immobilized yeast in hexane: biocatalyst deactivation and regeneration.
2001 Mar-Apr
Adsorption behaviour of some aromatic amines on pyrolusite and activated carbon and recovery of beta napthylamine from water sample.
2001 May
Nutritional quality of sesame seed protein fraction extracted with isopropanol.
2001 May
Photodegradation of 1-(2-chlorobenzoyl)-3-(4-chlorophenyl) urea in different media and toxicity of its reaction products.
2001 May
Eleven phthalate esters and di(2-ethylhexyl) adipate in one-week duplicate diet samples obtained from hospitals and their estimated daily intake.
2001 May
Cytotoxic activity of Typhonium flagelliforme (Araceae).
2001 May
Estimation of triterpenoids from Heliotropium marifolium Koen. ex Retz. in vivo and in vitro. I. Antimicrobial screening.
2001 May
Quantitative determination of plasma c8-c26 total fatty acids for the biochemical diagnosis of nutritional and metabolic disorders.
2001 May
In vitro and in vivo investigations into the biocompatibility of diamond-like carbon (DLC) coatings for orthopedic applications.
2001 May 1
Solid-phase extraction with styrene-divinylbenzene sorbent for high-performance liquid or gas chromatographic determination of urinary chloro- and methylthiotriazines.
2001 May 25
Normal-phase high-performance liquid chromatographic separations using ethoxynonafluorobutane as hexane alternative. I. Analytical and chiral applications.
2001 May 25
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:06:07 GMT 2023
Edited
by admin
on Fri Dec 15 15:06:07 GMT 2023
Record UNII
2DDG612ED8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXANE
II   INCI  
INCI  
Official Name English
HEXANE [INCI]
Common Name English
N-HEXANE [HSDB]
Common Name English
NSC-68472
Code English
HEXANE [USP-RS]
Common Name English
N-HEXANE [MI]
Common Name English
N-HEXANE
HSDB   MART.   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 Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
CFR 21 CFR 175.320
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
Code System Code Type Description
MESH
C026385
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
CONCEPT Industrial Aid
PUBCHEM
8058
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
RXCUI
1999411
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID0021917
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
NSC
68472
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
EVMPD
SUB71441
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
WIKIPEDIA
HEXANE
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-777-6
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
NCI_THESAURUS
C77545
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
FDA UNII
2DDG612ED8
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
MESH
D006586
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
CHEBI
29021
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
CAS
110-54-3
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
SMS_ID
100000135671
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
DAILYMED
2DDG612ED8
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
RS_ITEM_NUM
1601601
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
MERCK INDEX
m6002
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY Merck Index
HSDB
91
Created by admin on Fri Dec 15 15:06:08 GMT 2023 , Edited by admin on Fri Dec 15 15:06:08 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE -> PARENT