Registration Dossier
Registration Dossier
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EC number: 205-029-4 | CAS number: 131-56-6
Additional ecotoxological information
Administrative data
- Endpoint:
- additional ecotoxicological information
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Title:
- Unnamed
- Year:
- 2 014
Materials and methods
Test guideline
- Guideline:
- other: QSAR
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 2,4-dihydroxybenzophenone
- EC Number:
- 205-029-4
- EC Name:
- 2,4-dihydroxybenzophenone
- Cas Number:
- 131-56-6
- Molecular formula:
- C13H10O3
- IUPAC Name:
- 4-benzoylbenzene-1,3-diol
Constituent 1
Results and discussion
Any other information on results incl. tables
KOCWIN Program (v2.00) Results:
==============================
SMILES : O=C(c(cccc1)c1)c(c(O)cc(O)c2)c2
CHEM : Methanone, (2,4-dihydroxyphenyl)phenyl-
MOL FOR: C13 H10 O3
MOL WT : 214.22
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 7.682
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 4.6042
Fragment Correction(s):
1 Ketone (-C-CO-C-) ................... : -1.1290
2 Aromatic Hydroxy (aromatic-OH) ....... : -0.1932
Corrected Log Koc .................................. : 3.2819
Estimated Koc: 1914 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : 2.96
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 2.5624
Fragment Correction(s):
1 Ketone (-C-CO-C-) ................... : 0.1956
2 Aromatic Hydroxy (aromatic-OH) ....... : 0.3337
Corrected Log Koc .................................. : 3.0917
Estimated Koc: 1235 L/kg <===========
Applicant's summary and conclusion
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