Registration Dossier

Administrative data

Endpoint:
bioaccumulation in aquatic species, other
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
1982
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
This data was taken from the Handbook of Chemical Property Estimation Methods which describes the methods used for estimating bioconcentration factors in aquatic organisms. These methods are based on data from laboratory experiments that were designed to maintain relatively constant amounts of the chemical in the water environment, and where equilibrium concentrations of the chemical could be ascertained. This handbook is well recognised and reliable.
Cross-referenceopen allclose all
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study

Data source

Reference
Reference Type:
review article or handbook
Title:
Handbook of Chemical Property Estimation Methods: Environmental Behavior of Organic Compounds
Author:
Lyman, W.J., Rosenblatt, D.H. and Reehl, W.J.
Year:
1982
Bibliographic source:
Handbook of Chemical Property Estimation Methods: Environmental Behavior of Organic Compounds

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
This data was taken from the Handbook of Chemical Property Estimation Methods which describes the methods used for estimating bioconcentration factors in aquatic organisms. These methods are based on data from laboratory experiments that were designed to maintain relatively constant amounts of the chemical in the water environment, and where equilibrium concentrations of the chemical could be ascertained.
GLP compliance:
no
Remarks:
not required

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): Hexyl Salicylate
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
Not relevant
Radiolabelling:
no

Sampling and analysis

Details on sampling:
Not relevant

Test solutions

Vehicle:
no
Details on preparation of test solutions, spiked fish food or sediment:
Not relevant

Test organisms

Test organisms (species):
other: Please see below
Details on test organisms:
Calculations are based on the following species: Fathead minnow, Bluegill sunfish, Rainbow trout and Mosquito fish

Study design

Route of exposure:
aqueous
Test type:
flow-through
Water / sediment media type:
not specified

Test conditions

Hardness:
Estimation by Calculation
Test temperature:
Estimation by Calculation
pH:
Estimation by Calculation
Dissolved oxygen:
Estimation by Calculation
TOC:
Estimation by Calculation
Salinity:
Estimation by Calculation
Details on test conditions:
Estimation by Calculation
Nominal and measured concentrations:
Estimation by Calculation
Reference substance (positive control):
not required
Remarks:
Estimation by Calculation
Details on estimation of bioconcentration:
BASIS FOR CALCULATION OF BCF

Log Kow = 5.5 (Rudio 1996)
Equation: Log BCF = 0.76 Log Kow - 0.23 (Equation no 5.2 - Handbook of Chemical Estimation Methods)

Log BCF = 3.95
BCF = 8913

Results and discussion

Bioaccumulation factor
Type:
BCF
Value:
8 913 L/kg
Basis:
other: QSAR calculated from LogKow
Details on kinetic parameters:
Please see Table 1 for full calculation
Metabolites:
Not relevant
Results with reference substance (positive control):
Not relevant
Details on results:
Please see Table 1 for full calculation
Reported statistics:
Please see Table 1 for full calculation

Any other information on results incl. tables

Table 1: results

Molecular Weight

Log K(ow)

Log (l/s)

l/s (l/mol)

S (mol/L)

S (mg/L)

Log BCF calc.

BCF

Bioaccumulation Significant?

S measured mg/L

Vp mmHg at 20°C

VOC defined as vp >0.076 mm Hg

HLC calc Pa m3/mol

HLC Quoted/measured Pa m3/mol

Ex Croner Env

LogKoc calc

Koc calc

Koc quoted/measured

Interpretation of Koc

Log Koc calc

Koc calc

222

5.5

5.05

1.13E+05

8.88E-06

2

3.95

8913

Y

2.0

0.01

N

150.1

H

5.15

1E+04

 3.5E+04  

(Based on BAC & HCA)

H

3.5

2981

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Remarks:
Estimation by calculation
Conclusions:
The log BCF value of Hexyl Salicylate is 3.95 according to calculations described in the handbook of calculations.
Executive summary:

Data was taken from the Handbook of Chemical Property Estimation Methods which describes the methods used for estimating bioconcentration factors in aquatic organisms. These methods are based on data from laboratory experiments that were designed to maintain relatively constant amounts of the chemical in the water environment, and where equilibrium concentrations of the chemical could be ascertained.

Using the logKow figure determined by Rudio (1996) of 5.5, a BCF was derived using the equation described in the Handbook of Chemical Property Estimation Methods.The Log BCF was estimated to be 3.95 (BCF = 8913).

Due to the readily biodegradable nature of hexyl salicylate, exposure to the aquatic environment will be limited. Its readily biodegradable nature will also mean that the BCF will be lower than that estimated from the Log Kow as the substance is expected to be metabolised by aquatic organisms.

Further calculations were performed using the current version of the BCFBAF model within the EPA's Epiweb program (http://www.epa.gov/opptintr/exposure/pubs/episuite.htm). This uses a slightly different formula to estimate BCF to that described in the handbook of calculations resulting in an estimated BCF of 1977. In addition to this, the model estimates the biotransformation half life as 0.24 days and uses this to refine the BCF estimates. These additional calculations estimate Log BCF in the range 1.99 to 2.17 (BCF = 98 to 148).

In view of the above considerations and the requirement to avoid unnecessary animal testing, no further studies are proposed.