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Details Octane

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Role Reference Substance
nameOctane
MPIMP IDR000465
stereoisomern-
isotopomerambient
formulaC8H18
molecular mass114.229
monoisotopic mass114.14085
InChIInChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKeyTVMXDCGIABBOFY-UHFFFAOYSA-N
supplierSigma
supplier codeO2001
lot38H3654
purity99
solubility 
general 
amount100
amount unitML
store temperature 1RT
store temperature 2RT
store dryFalse
store under argonFalse
store in darkFalse
contributing authorTurner J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
date of order 
date in2000-01-01
date out 
date expired 
box number81
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%276f0e9d65-465c-4836-8aa3-d5c77fcee106%27)

Synonyms of Octane

propertyvalue
BRENDA26254
CAS111-65-9
ChEBI IDChEBI:17590
ChEBI ontologyhas role xenobiotic
ChEBI ontologyis a alkane
ChemSpider ID349
MetaCycCPD-148
PubChem CID356
PubChem SID92297457
synonymCH3-[CH2]6-CH3
15 synonym(s)
    of 2    

Metabolites mapped to Octane

metabolitestereoisomerisotopomer
Octanen- ambient
1 metabolite(s)

Replica of Octane

reference substancesuppliersupplier codelot
No Reference substances found!
compound timestamp information
deposited at 8/29/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/7/2013 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
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