Registration Dossier
Registration Dossier
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EC number: 212-985-6 | CAS number: 901-44-0
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- In accordance with column 2 of REACH Annex IX, the adsorption/desorption screening test does not need to be conducted as the substance can be expected to have a low potential for adsorption based on its intrinsic properties (log Kow <3). However, a Koc value is required for the sediment and soil PNEC derivations. Therefore, a QSAR value is proposed.
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- Validated QSAR.
- Type of method:
- other: QSAR
- Media:
- soil
- Key result
- Type:
- Koc
- Value:
- 239.2 L/kg
- Temp.:
- 20 °C
- Matrix:
- Soil
- Executive summary:
In accordance with column 2 of REACH Annex VIII, the adsorption/desorption test (required in § 9.3.1) does not need to be conducted as the substance can be expected to have a low potential for adsorption. The substance has indeed a low octanol-water partition coefficient (log Pow = 2.86). However, a Koc value is required for the estimation of several PNECs. Therefore, Koc was estimated by a validated Q-SAR model using the molecular connectivity method (MCI) with the Kocwin 2.0 software. 2,2'-Isopropylidenebis(p-phenyleneoxy)diethanol has 2 ether aromatic and 2 aliphatic alcohol groups, which falls in the scope of the MCI model, as indicated in appendix D of the user manual of Kocwin 2.0. Koc=239.2 L/kg
Reference
Description of key information
In accordance with column 2 of REACH Annex VIII, the adsorption/desorption test (required in § 9.3.1) does not need to be conducted as the substance can be expected to have a low potential for adsorption. The substance has indeed a low octanol-water partition coefficient (log Pow = 2.86). However, a Koc value is required for the estimation of several PNECs. Therefore, Koc was estimated by a validated Q-SAR model using the molecular connectivity method (MCI) with the Kocwin 2.0 software. 2,2'-Isopropylidenebis(p-phenyleneoxy)diethanol has 2 ether aromatic and 2 aliphatic alcohol groups, which falls in the scope of the MCI model, as indicated in appendix D of the user manual of Kocwin 2.0. Koc=239.2 L/kg
Key value for chemical safety assessment
- Koc at 20 °C:
- 239
Additional information
[LogKoc: 2.38]
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.
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