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Environmental fate & pathways

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Administrative data

Description of key information

Adsorption/desorption:

The Soil Adsorption Coefficient i.e Koc value of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CAS No:124-75-6) was estimated using EPI suite KOCWIN Program (v2.00) as 75.77 L/kg (log Koc= 1.8795)  by means of MCI method at 25 deg.C. This Koc value indicates that the substance 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

Additional information

Adsorption/desorption:

Various predicted data for the target compound1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CAS No:124-75-6)and supporting weight of evidence study for its read across chemical were reviewed for the Adsorption end point which are summarized as below.

In first weight of evidence study the Soil Adsorption Coefficient i.e Koc value of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CAS No:124-75-6) was estimated using EPI suite(2017) KOCWIN Program (v2.00) as 75.77 L/kg (log Koc= 1.8795)  by means of MCI method at 25 deg.C. This Koc value indicates that the substance 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

In second weight of evidence study the Soil Adsorption Coefficient i.e Koc value of test substance1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol( CAS no. 124 -75 -6) was estimated using Adsorption Coefficient module (v12.1.0.50374) program ofACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) moduleas Koc 707 dimensionless (log Koc= 2.8494) at pH range 1 -12. This log Koc value indicates that the test substance1,7,7-trimethylbicyclo[2.2.1]heptan-2-olhas a moderate sorption to soil and therefore have slow migration potential to groundwater.

Third weight of evidence study done by Using Sci-Finder database of American Chemical Society (2017) and soil adsorption co-efficient i.e.,  Koc value of test chemical 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CAS no. 124 -75 -6) was estimated to be 581 dimensionless ( log Koc =2.7641) at pH 1-10 at temperature 25 deg.C. This Koc value at all range of pH condition indicates that the substance 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has moderate sorption to soil and sediment therefore have slow migration potential to ground water.

Another weight of evidence study done by Using Chemspider-ACD/Phy chem suite of Royal Society of Chemistry (2017) and the soil adsorption co-efficient i.e., Koc value of test substance1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol(CAS no 124 -75 -6) was estimated to be 606.48 dimensionless (log Koc= 2.7828) at pH 5.5 and 7.4 and temperature 25 deg.C This Koc value at different pH indicates that the chemical1,7,7-trimethylbicyclo[2.2.1]heptan-2-olhas moderate sorption to soil and sediment and therefore slow migration potential to ground water.

Last weight of evidence study done 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)  the adsorption coefficient i.e KOC for test substance 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CAS no.124 -75 -6) was estimated to be 1910 L/kg (log Koc = 3.2810) .The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.

In a supporting weight of evidence study done from authoritative database ( HSDB, 2017) the Koc value for read across chemical 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane (CAS no.470-82-6) was estimated by using a log Kow of 2.74 and a regression-derived equation. The estimated Koc value was 220 dimensionless and log Koc is 2.3424 this log Koc value suggests that 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane is expected to have low sorption to soil and sediment and therefore have moderate migration potential to ground water.

In another supporting weight of evidence study done from authoritative database ( HSDB, 2017) the Koc value for read across chemical (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol (CAS no.2216-51-5) was estimated by using a log Kow of 3.3 and a regression-derived equation. The estimated Koc value was 1500 dimensionless and log Koc is 3.1760 this log Koc valuesuggests that (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol is expected to have moderate sorption to soil and sediment and therefore have slow migration potential to ground water.

On the basis of above results for target chemical1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CAS No:124-75-6)(from EPI suite, ACD labs, Sci Finder database, Comptox chemistry dashboard and Chemspider 2017) and for its read across chemicals (From authoritative database HSDB) it can be concluded that the log Koc value of test substance1,7,7-trimethylbicyclo[2.2.1]heptan-2-olranges from 1.8795 to 3.2810 indicating that the chemical1,7,7-trimethylbicyclo[2.2.1]heptan-2-olhas low to moderate sorption to soil and sediment and therefore have moderate to slow migration potential to ground water.