Registration Dossier
Registration Dossier
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EC number: 209-052-0 | CAS number: 553-86-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1997-06
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study well documented performed under GLP, meets accepted scientific principles, acceptable for assessment
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 997
- Report date:
- 1997
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: calculation
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- (3H)-benzofuran-2-one
- EC Number:
- 209-052-0
- EC Name:
- (3H)-benzofuran-2-one
- Cas Number:
- 553-86-6
- Molecular formula:
- C8H6O2
- IUPAC Name:
- 2,3-dihydro-1-benzofuran-2-one
- Details on test material:
- - Name of test material (as cited in study report): 2 Coumaranone at 100 % or 2C100
- Lot/batch No.: R418OP27D
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.347
- Remarks on result:
- other: pH and temperature not indicated
Any other information on results incl. tables
Preliminary study based on individual solubility of 2 -coumaranone in water and octanol leads to an estimation of Partition coefficient of 1.285. Calculation method leads to result approx. 1.347.
2 -Coumaranone hydrolyses very rapidly to form o-hydroxyphenylacetic acid; for that reason, shake-flask method can not be performed
HPLC method has not been performed for the same reason.
As results from prelimary study and from calculation are very close, the estimated value has been kept as definitive result.
Applicant's summary and conclusion
- Conclusions:
- Partition coefficient (water/octanol) of 2-coumaranone, determined by calculation, is 1.347.
This indicates a low potential of 2Coumaranone for bioaccumulation - Executive summary:
Partition coefficient (water/octanol) of 2-coumaranone, determined by calculation, is 1.347.
This indicates a low potential of 2Coumaranone for bioaccumulation
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