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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
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EC number: 202-439-5 | CAS number: 95-65-8
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
Materials and methods
Results and discussion
Adsorption coefficient
- Type:
- Koc
- Value:
- >= 211.6 - <= 491.8
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimated
Any other information on results incl. tables
SMILES : Oc(ccc(c1C)C)c1
CHEM : Phenol, 3,4-dimethyl-
MOL FOR: C8 H10 O1
MOL WT : 122.17
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 4.198
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 2.7884
Fragment Correction(s):
1 Aromatic Hydroxy (aromatic-OH) ....... : -0.0966
Corrected Log Koc .................................. : 2.6918
Estimated Koc: 491.8 L/kg
Koc Estimate from Log Kow:
-------------------------
Log Kow (experimental DB) ......................... : 2.23
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 2.1586
Fragment Correction(s):
1 Aromatic Hydroxy (aromatic-OH) ....... : 0.1668
Corrected Log Koc .................................. : 2.3254
Estimated Koc: 211.6 L/kg
Applicant's summary and conclusion
- Conclusions:
- Dimethylphenol is expected to have moderate mobility in soil.
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