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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
basic toxicokinetics
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:
No information
Author:
Anonymous
Year:
2010
Bibliographic source:
BCFBAF v3.01 (Epiweb 4.1)

Materials and methods

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

Test material

Constituent 1
Chemical structure
Reference substance name:
2-phenyl-2-imidazoline
EC Number:
213-313-4
EC Name:
2-phenyl-2-imidazoline
Cas Number:
936-49-2
Molecular formula:
C9H10N2
IUPAC Name:
2-phenyl-4,5-dihydro-1H-imidazole

Results and discussion

Main ADME results
Type:
other: bio half life (days)
Results:
0.216 days (normalised to 10 g fish @ 15 deg C)

Any other information on results incl. tables

BCFBAF Program (v3.01) Results:

==============================

SMILES : N(=C(NC1)c(cccc2)c2)C1

CHEM : 1H-Imidazole, 4,5-dihydro-2-phenyl-

MOL FOR: C9 H10 N2

MOL WT : 146.19

--------------------------------- BCFBAF v3.01 --------------------------------

Summary Results:

Log BCF (regression-based estimate): 1.28 (BCF = 19.2 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.216 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 1.34 (BAF = 21.8 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 2.45

Equation Used to Make BCF estimate:

Log BCF = 0.6598 log Kow - 0.333 + Correction

Correction(s): Value

No Applicable Correction Factors

Estimated Log BCF = 1.284 (BCF = 19.22 L/kg wet-wt)

===========================================================

Whole Body Primary Biotransformation Rate Estimate for Fish:

===========================================================

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Unsubstituted phenyl group (C6H5-) | -0.6032 | -0.6032

Frag | 5 | Aromatic-H | 0.2664 | 1.3319

Frag | 2 | -CH2- [cyclic] | 0.0963 | 0.1925

Frag | 1 | Benzene | -0.4277 | -0.4277

L Kow| * | Log Kow = 2.45 (KowWin estimate) | 0.3073 | 0.7531

MolWt| * | Molecular Weight Parameter | | -0.3749

Const| * | Equation Constant | | -1.5058

============+============================================+=========+=========

RESULT | LOG Bio Half-Life (days) | | -0.6654

RESULT | Bio Half-Life (days) | | 0.2161

NOTE | Bio Half-Life Normalized to 10 g fish at 15 deg C |

============+============================================+=========+=========

Biotransformation Rate Constant:

kM (Rate Constant): 3.208 /day (10 gram fish)

kM (Rate Constant): 1.804 /day (100 gram fish)

kM (Rate Constant): 1.014 /day (1 kg fish)

kM (Rate Constant): 0.5705 /day (10 kg fish)

Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):

Estimated Log BCF (upper trophic) = 1.338 (BCF = 21.8 L/kg wet-wt)

Estimated Log BAF (upper trophic) = 1.338 (BAF = 21.8 L/kg wet-wt)

Estimated Log BCF (mid trophic) = 1.229 (BCF = 16.94 L/kg wet-wt)

Estimated Log BAF (mid trophic) = 1.229 (BAF = 16.95 L/kg wet-wt)

Estimated Log BCF (lower trophic) = 1.189 (BCF = 15.44 L/kg wet-wt)

Estimated Log BAF (lower trophic) = 1.189 (BAF = 15.44 L/kg wet-wt)

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):

Estimated Log BCF (upper trophic) = 1.492 (BCF = 31.03 L/kg wet-wt)

Estimated Log BAF (upper trophic) = 1.512 (BAF = 32.49 L/kg wet-wt)

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): no bioaccumulation potential based on study results