Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 219-307-8 | CAS number: 2408-20-0
Endpoint summary
Administrative data
Description of key information
Adsorption /desorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical 2-Propenyl Propanoate (CAS No. 2408-20-0) was estimated using EPI suite KOCWIN Program (v2.00) as 19.41 L/kg (log Koc= 1.2880) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 2-Propenyl Propanoate has negligible sorption to soil and therefore have rapid migration potential to ground water.
Additional information
Adsorption /desorption:
Predicted data for target chemical 2-Propenyl Propanoate (CAS no.2408-20-0) and supporting weight of evidence studies for its read across chemical were reviewed for adsorption endpoint and their results were summarized below.
In a prediction done by using EPI suite KOCWIN Program (v2.00 the Soil Adsorption Coefficient i.e. Koc value of test chemical 2-Propenyl Propanoate (CAS No. 2408-20-0) was estimated as 19.41 L/kg (log Koc= 1.2880) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 2-Propenyl Propanoate has negligible sorption to soil and therefore have rapid migration potential to ground water.
Another prediction done by using Adsorption Coefficient module (v12.1.0.50374) of Advanced Chemistry Development/I lab predictive module the Soil Adsorption Coefficient i.e Koc value of test substance 2-Propenyl Propanoate (CAS no. 2408-20-0) was estimated as Koc 161 dimensionless (log Koc= 2.2068).This log Koc value indicates that the test substance 2-Propenyl Propanoate has a low sorption to soil and therefore have moderate migration potential to groundwater.
Next prediction done by using Sci Finder database of American Chemical Society ( ACS, 2017) the soil adsorption co-efficient i.e., Koc value of test chemical 2-Propenyl Propanoate (CAS no. 2408-20-0) was estimated to be 177 (log Koc =2.2479) at pH 1-10 at temperature 25 deg.C. This Koc value at entire range of pH condition indicates that the substance 2-Propenyl Propanoate has low sorption to soil and sediment therefore have moderate migration potential to ground water.
Another prediction by using Chemspider-ACD/Phy chem suite of Royal Society of Chemistry, 2017 the soil adsorption co-efficient i.e., Koc value of test substance 2-Propenyl Propanoate (CAS no 2408-20-0) was estimated to be 181.07 dimensionless (log Koc=2.2578) at pH 5.5 and 7.4 and temperature 25 deg.C This Koc value at different pH indicates that the chemical 2-Propenyl Propanoate has low sorption to soil and sediment and therefore moderate migration potential to ground water.
One more prediction 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 2-Propenyl Propanoate (CAS no.2408-20-0) was estimated to be 21.8 L/kg (log Koc = 1.3384). it isbased on the 5 OECD principles. Thus based on the result it is concluded that the test substance 2-Propenyl Propanoate has negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
In a supporting weight of evidence study done from Hazardous Substance Data bank (HSDB, 2017) of read across chemical Ethyl Propanoate (CAS no.105-37-3) the Koc value estimated by using a structure estimation method based on molecular connectivity indices. The estimated Koc value was 12 dimensionless and log Koc is 1.0791 this log Koc value suggests that Ethyl Propanoate 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 same source as mentioned above ( HSDB, 2017) of read across chemical Allyl Acetate (CAS no.591-87-7) the Koc value for chemical was estimated by using a log Kow of 0.97 and a regression-derived equation.The estimated Koc value is 80 dimensionless and log Koc is 1.9030 this log Koc value suggests that Allyl Acetate is expected to have low sorption to soil and sediment and therefore have moderate migration potential to ground water.
On the basis of above results for target chemical 2-Propenyl Propanoate (CAS no.2408-20-0) (from EPI suite, ACD lab, Sci Finder, Chemspider and Comptox Chemistry Dashboard, 2017), and for its read across chemical ( From HSDB, 2017) it can be concluded that the Koc value of test substance 2-Propenyl Propanoate ranges from 12 to181.07 dimensionless and log koc ranges from 1.0791 to 2.2578 indicating that the test chemical 2-Propenyl Propanoate has negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to groundwater.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
