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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
1999
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions
Remarks:
Study performed similarly to OECD guideline 117 with data scientifically acceptable but not performed under GLP
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study
Reference:
Composition 0
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Principles of method if other than guideline:
Not applicable
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.98
Temp.:
37 °C
pH:
7.2
Remarks on result:
other: standard error: 0.07
Details on results:
- Experimental log Kow (RP-HPLC) = 3.98 (S.E.: 0.07) at 37 °C
- Calculated log Kow = 3.56 (fragment method) and 2.59 (atomistic method)

None

Conclusions:
The partition coefficient, log Kow, of NERYL ACETATE was determined according to a method similar to guideline OECD 117: 3.98 (S.E. = 0.07) at 37 °C.
Executive summary:

A study was conducted to determine the partition coefficient of NERYL ACETATE by Reverse Phase High Performance Liquid Chromatographic method similarly to guideline OECD 117.

 

The partition coefficient, log Kow, of NERYL ACETATE was determined as 3.98 (S.E. = 0.07) at 37 °C.

Description of key information

The partition coefficient of neryl acetate was determined at 37°C according to Guideline OECD 117.

log Kow = 3.98 (SE = 0.07)


Key value for chemical safety assessment

Log Kow (Log Pow):
3.98
at the temperature of:
37 °C

Additional information

Key study conducted according to OECD Guideline 117. The result is scientifically acceptable but not obtained under GLP.

Therefore a reliability of 2 (reliable with restrictions) was assigned.