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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H18O2
Molecular Weight 146.2273
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTANEDIOL

SMILES

OCCCCCCCCO

InChI

InChIKey=OEIJHBUUFURJLI-UHFFFAOYSA-N
InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2

HIDE SMILES / InChI

Molecular Formula C8H18O2
Molecular Weight 146.2273
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Direct injection micellar liquid chromatographic determination of benzodiazepines in serum.
2002-11-25
Reconstructing source polybrominated diphenyl ether congener patterns from semipermeable membrane devices in the Fraser River, British Columbia, Canada: comparison to commercial mixtures.
2002-11
A 3D QSAR pharmacophore model and quantum chemical structure--activity analysis of chloroquine(CQ)-resistance reversal.
2002-10-16
Development and application of an oil toxicity and exposure model, OilToxEx.
2002-10
An examination of the physical properties, fate, ecotoxicity and potential environmental risks for a series of propylene glycol ethers.
2002-10
Validation of a modified flory-huggins concept for description of hydrophobic organic compound sorption on dissolved humic substances.
2002-09
Partition coefficients of environmentally important phenols in a supercritical carbon dioxide-water system from cocurrent extraction without analysis of the compressible phase.
2002-08-15
Effects of isoflavones from Sophora species on the growth and activation of a mouse macrophage-like cell line.
2002-08-15
Evaluation of three models for predicting newly determined octanol-water partition coefficients and mechanisms for substituted aromatic compounds.
2002-08-02
Do liposome-binding constants of porphyrins correlate with their measured and predicted partitioning between octanol and water?
2002-08
Comparative study on salivary distribution of fluoroquinolones in rats.
2002-08
Soil microbial toxicity of eight polycyclic aromatic compounds: effects on nitrification, the genetic diversity of bacteria, and the total number of protozoans.
2002-08
Distribution of polycyclic aromatic hydrocarbons in soils and terrestrial biota after a spill of crude oil in Trecate, Italy.
2002-08
Linear solvation energy relationships regarding sorption and retention properties of hydrophobic organic compounds in soil leaching column chromatography.
2002-08
Sorption behaviour of acetochlor, atrazine, carbendazim, diazinon, imidacloprid and isoproturon on Hungarian agricultural soil.
2002-08
Estimation of aqueous solubility of organic compounds by using the general solubility equation.
2002-08
Physico-chemical determinants of dermal drug delivery: effects of the number and substitution pattern of polar groups.
2002-08
Rapid estimation of octanol-water partition coefficients using synthesized vesicles in electrokinetic chromatography.
2002-07-12
Comparison of models for the estimation of biological partition coefficients.
2002-07-12
Pharmacokinetically based mapping device for chemical space navigation.
2002-07-09
Removal of fragrance materials during U.S. and European wastewater treatment.
2002-07-01
Rapid determination of liposome-water partition coefficients (Klw) using liposome electrokinetic chromatography (LEKC).
2002-07
Regarding the sources of data analyzed with quantitative structure-skin permeability relationship methods (commentary on 'Investigation of the mechanism of flux across human skin in vitro by quantitative structure-permeability relationships').
2002-06
Cationic drug pharmacokinetics in diseased livers determined by fibrosis index, hepatic protein content, microsomal activity, and nature of drug.
2002-06
Quantitative structure-permeability relationships (QSPRs) for percutaneous absorption.
2002-06
Analysis of stereoelectronic properties, mechanism of action and pharmacophore of synthetic indolo[2,1-b]quinazoline-6,12-dione derivatives in relation to antileishmanial activity using quantum chemical, cyclic voltammetry and 3-D-QSAR CATALYST procedures.
2002-06
Quantitative structure-permeability relationships for percutaneous absorption: re-analysis of steroid data.
2002-05-15
Organochlorine contaminants in eggs: the influence of contaminated nest material.
2002-05
Selecting internally consistent physicochemical properties of organic compounds.
2002-05
Solubility enhancement of PCDD/F in the presence of dissolved humic matter.
2002-04-26
Prediction of the bioaccumulation factors and body burden of natural and synthetic estrogens in aquatic organisms in the river systems.
2002-04-22
Assessment of dermal absorption and penetration of components of a fuel mixture (JP-8).
2002-04-08
Method for measuring the logarithm of the octanol-water partition coefficient by using short octadecyl-poly(vinyl alcohol) high-performance liquid chromatography columns.
2002-04-05
[Toxicity effect of substituted benzenes in oilfield wastewater by molecular orbital method].
2002-04
A random walk model of skin permeation.
2002-04
More realistic soil cleanup standards with dual-equilibrium desorption.
2002-03-28
Fuzzy ARTMAP and back-propagation neural networks based quantitative structure-property relationships (QSPRs) for octanol-water partition coefficient of organic compounds.
2002-03-26
The effect of lofepramine and other related agents on the motility of Tetrahymena pyriformis.
2002-03-10
The components of the "critical quartet" log Kow values assessed by four commercial software packages.
2002-03
The importance of hydrophobicity and electrophilicity descriptors in mechanistically-based QSARs for toxicological endpoints.
2002-03
Influence of lipophilicity and lysosomal accumulation on tissue distribution kinetics of basic drugs: a physiologically based pharmacokinetic model.
2002-03
Spatial trends and bioaccumulation of organochlorine pollutants in marine zooplankton from the Alaskan and Canadian Arctic.
2002-03
Micellar liquid chromatography: suitable technique for screening analysis.
2002-02-15
Partition coefficients for the trihalomethanes among blood, urine, water, milk and air.
2002-02-04
Plant contamination by organic pollutants in phytoremediation.
2002-01-16
Temperature dependent properties of environmentally important synthetic musks.
2002
Physical and chemical properties of pyrethroids.
2002
Bioconcentration of trace organochlorine pesticides by the rainbow trout.
2002
Synthesis and biological investigations of 5-substituted pyrimidine nucleosides coupled to a dihydropyridine/pyridinium salt redox chemical delivery system.
2001-11
Receptor binding studies of soft anticholinergic agents.
2001
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:04:23 GMT 2025
Edited
by admin
on Mon Mar 31 21:04:23 GMT 2025
Record UNII
806K32R50Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORISTAR OTD
Preferred Name English
OCTANEDIOL
INCI  
INCI  
Official Name English
.ALPHA.,.OMEGA.-OCTANEDIOL
Common Name English
.OMEGA.-OCTANEDIOL
Common Name English
1,8-DIHYDROXYOCTANE
Systematic Name English
1,8-OCTANEDIOL
Systematic Name English
1,8-OCTAMETHYLENE GLYCOL
Common Name English
NSC-81228
Code English
Code System Code Type Description
ECHA (EC/EINECS)
211-090-8
Created by admin on Mon Mar 31 21:04:23 GMT 2025 , Edited by admin on Mon Mar 31 21:04:23 GMT 2025
PRIMARY
WIKIPEDIA
1,8-Octanediol
Created by admin on Mon Mar 31 21:04:23 GMT 2025 , Edited by admin on Mon Mar 31 21:04:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID2022416
Created by admin on Mon Mar 31 21:04:23 GMT 2025 , Edited by admin on Mon Mar 31 21:04:23 GMT 2025
PRIMARY
PUBCHEM
69420
Created by admin on Mon Mar 31 21:04:23 GMT 2025 , Edited by admin on Mon Mar 31 21:04:23 GMT 2025
PRIMARY
CHEBI
44630
Created by admin on Mon Mar 31 21:04:23 GMT 2025 , Edited by admin on Mon Mar 31 21:04:23 GMT 2025
PRIMARY
DAILYMED
806K32R50Z
Created by admin on Mon Mar 31 21:04:23 GMT 2025 , Edited by admin on Mon Mar 31 21:04:23 GMT 2025
PRIMARY
NSC
81228
Created by admin on Mon Mar 31 21:04:23 GMT 2025 , Edited by admin on Mon Mar 31 21:04:23 GMT 2025
PRIMARY
FDA UNII
806K32R50Z
Created by admin on Mon Mar 31 21:04:23 GMT 2025 , Edited by admin on Mon Mar 31 21:04:23 GMT 2025
PRIMARY
RXCUI
1600440
Created by admin on Mon Mar 31 21:04:23 GMT 2025 , Edited by admin on Mon Mar 31 21:04:23 GMT 2025
PRIMARY RxNorm
CHEBI
37872
Created by admin on Mon Mar 31 21:04:23 GMT 2025 , Edited by admin on Mon Mar 31 21:04:23 GMT 2025
PRIMARY
CAS
629-41-4
Created by admin on Mon Mar 31 21:04:23 GMT 2025 , Edited by admin on Mon Mar 31 21:04:23 GMT 2025
PRIMARY