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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 254-898-6 | CAS number: 40379-24-6
Endpoint summary
Administrative data
Description of key information
The Soil Adsorption Coefficient i.e Koc value of test substance 7-methyloctyl acetate was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 4849 (log Koc= 3.7 ± 1.0). This Koc value indicates that the test substance 7-methyloctyl acetate has a strong sorption to soil and sediments and therefore has negligible to slow migration potential to groundwater.
Additional information
Adsorption / desorption:
Various predicted data for the target compound 7-methyloctyl acetate (CAS no. 40379 -24 -6) and supporting weight of evidence study for its read across substance were reviewed for the adsorption end point which are summarized as below:
In a prediction the Soil Adsorption Coefficient i.e Koc value of test substance 7-methyloctyl acetate was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 4849 (log Koc= 3.7 ± 1.0). This Koc value indicates that the test substance 7-methyloctyl acetate has a strong sorption to soil and sediments and therefore has negligible to slow migration potential to groundwater.
In an another prediction done by using ChemSpider Database (2017), The Soil Adsorption Coefficient i.e Koc value of test substance 7-methyloctyl acetate (CAS no.40379 -24 -6) was estimated using ChemSpider Database. The adsorption coefficient (Koc) value of substance 7-methyloctyl acetate was estimated to be 4911.08 (Log Koc = 3.69) at pH 5.5 and 7.4, respectively. This Koc value indicates that the substance 7-methyloctyl acetate has a strong sorption to soil and sediment and therefore have negligible to slow migration potential to groundwater.
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 7-methyloctyl acetate was estimated to be 658 L/kg. Thus based on the result it is concluded that the test substance 7-methyloctyl acetate have moderate sorption to soil and sediment, slow migration potential to groundwater.
Similarly in a supporting weight of evidence study from UERL report, 2017 for the read across chemical isopentyl salicylate (CAS No. 87-20-7) Koc determined. The adsorption coefficient Koc in soil and in sewage sludge isopentyl salicylate (CAS No. 87-20-7) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The reference substances were chosen according to structural similarity of the test substance and calibration graph was prepared. The reference substances were Phenol, Toluene, Ethylbenzene, Naphthalene, Phenanthrene and DDT having Koc value ranging from 1.32 to 5.63. The Log Koc value was 4.202 ± 0.002 at 25°C.
On the basis of above overall results for target chemical 7-methyloctyl acetate (CAS no. 40379 -24 -6) (from ACD labs, ChemSpider and CompTox Chemistry Dashboard, 2017), and for its read across substance (UERL report, 2016) it can be concluded that the Koc value of test substance 7-methyloctyl acetate ranges from 658 - 4911.08 indicating that the test chemical 7-methyloctyl acetate has a moderate to strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
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.
