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EC number: 231-323-7
CAS number: 7492-66-2
Adsorption / desorption
The Soil Adsorption Coefficient i.e Koc
value of 1,1-diethoxy-3,7-dimethylocta-2,6-diene was estimated using EPI
suite KOCWIN (v2.00) program as 655 L/kg (log Koc=2.81) by means
of MCI method at 25 deg.C. This Koc value indicates that the substance
1,1-diethoxy-3,7-dimethylocta-2,6-diene has a Moderate sorption to soil
and sediment and therefore have slow migration potential to groundwater.
Adsorption / desorption
Three results including different predicted
data from validated models and from US EPA screening report for
adsorption (KOC) endpoint of target chemical
1,1-diethoxy-3,7-dimethylocta-2,6-diene (Cas no. 7492-66-2)were
summarized as follows:
First study from prediction by KOCWIN model
(v2.00) of EPI suite which indicate the adsorption value of
1,1-diethoxy-3,7-dimethylocta-2,6-diene was estimated as 655 L/kg(log
Koc=2.81) by means of MCI method at 25 deg.C. This Koc value indicates
that the substance 1,1-diethoxy-3,7-dimethylocta-2,6-diene has a
Moderate sorption to soil and sediment and therefore have slow migration
potential to groundwater.
Above result is assist by U.S. Environmental
Protection Agency September,Hazard Characterization Document, 2009 which
suggest the Adsorption in soil (log Koc) factor of test chemical Citral
diethyl acetal (Cas no.7492-66-2) i.e
1,1-diethoxy-3,7-dimethylocta-2,6-diene was reported to be 2.13
(Dimensionless).This Log Koc suggest that the chemical has moderate
mobility in soil compartment.
And Result From CompTox Chemistry Dashboard
using OPERA (OPEn (quantitative) structure-activity Relationship
Application) V1.02 model in which calculation based on PaDEL
descriptors (calculate molecular descriptors and fingerprints of
chemical) indicate the adsorption coefficient i.e KOC for test substance
1,1-diethoxy-3,7-dimethylocta-2,6-diene was estimated to be 257 L/Kg.The
predicted KOC result based on the 5 OECD principles. Thus based on the
result it is concluded that the test substance
1,1-diethoxy-3,7-dimethylocta-2,6-diene has moderate mobility in soil
Thus all available studies for adsorption
endpoint come to conclusion that the test substance
1,1-diethoxy-3,7-dimethylocta-2,6-diene (Cas no. 7492-66-2) is expected
to have low to moderate mobility in soil and sediment compartment.
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