Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

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:
2014

Materials and methods

Test guideline
Guideline:
other: QSAR
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
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

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