Hexyl salicylate

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption, other

Remarks:

other: Calculation adsorption

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-reference

Cross-reference 1

Reason / purpose for cross-reference:

reference to same study

Cross-reference 2

Reason / purpose for cross-reference:

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

Type of method:

other: Calculation

Media:

other: Calculation

Test material

Test material information

Constituent 1

Reference substance name:

Hexyl salicylate

EC Number:

228-408-6

EC Name:

Hexyl salicylate

Cas Number:

6259-76-3

Molecular formula:

C13H18O3

IUPAC Name:

hexyl salicylate

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

Study design

Test temperature:

Not relevant

HPLC method

Details on study design: HPLC method:

Not relevant

Batch equilibrium or other method

Analytical monitoring:

not required

Details on sampling:

Not relevant

Details on matrix:

Not relevant

Details on test conditions:

Not relevant

Computational methods:

Not relevant

Results and discussion

Adsorption coefficient

Type:

Koc

Value:

2 981

Partition coefficients

Type:

other: Not relevant QSAR calculation

Remarks on result:

other: A quantitative result is not provided for the partition coefficient for adsorption/desorption, since the Koc was predicted via QSAR calculation.

Results: HPLC method

Details on results (HPLC method):

Not relevant

Results: Batch equilibrium or other method

Adsorption and desorption constants:

Not relevant

Recovery of test material:

Not relevant

Concentration of test substance at end of adsorption equilibration period:

Not relevant

Concentration of test substance at end of desorption equilibration period:

Not relevant

Transformation products:

no

Details on results (Batch equilibrium method):

Not relevant

Statistics:

Not relevant

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:

yes

Remarks:

validated method

Conclusions:

The Koc for Hexyl salicylate was estimated to be 2981. This means that Hexyl Salicylate has a slight mobility in soil.

Executive summary:

The Koc for Hexyl salicylate was estimated to be 2981. This suggests that Hexyl Salicylate has a slight mobility in soil.