Benzenesulfonic acid, 4-C10-13-sec-alkyl derivs., compds. with triethanolamine

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: Not assignable because of uncertainty related to the input parameters.

Data source

Reference

Reference 1

Reference Type:

publication

Title:

Environmental hazard assessment of substances

Author:

ECETOC

Year:

1993

Bibliographic source:

Technical Report No. 51, European Centre for Ecotoxicology and Toxicology of Chemicals, Brussels.

Reference 2

Reference Type:

study report

Title:

Unnamed

Year:

1993

Materials and methods

Model:

calculation according to Mackay, Level III

Calculation programme:

Multi-media model HAZCHEM derived from MacKay type level III model, including a water purification module (comparable to SIMPLETREAT model used by the Netherlands Authorities). Regional model for Europe. Includes probabilistic evaluation of natural variability and inaccuracy in determination of input parameters using Monte Carlo simulation.

Media:

air - biota - sediment(s) - soil - water

Test material

Test material information

Constituent 1

Reference substance name:

Benzenesulfonic acid, C10-13-alkyl derivs., sodium salts

EC Number:

270-115-0

EC Name:

Benzenesulfonic acid, C10-13-alkyl derivs., sodium salts

Cas Number:

68411-30-3

Molecular formula:

C16-19 H25-31 Na O3 S

IUPAC Name:

sodium 4-undecylbenzenesulfonate

Details on test material:

- Name of test material (as cited in study report): LAS

Study design

Test substance input data:

Molecular weight 347
Melting point (°C) 10
Vapor pressure (Pa) 1 x 10^-10
Solubility (mg/L) 350
Log Kow 2.5
Half-life life in air (h) 8
Half-life in water (h) 35
Half-life in soil (h) 339
Half-life in sediment (h) 17
Soil-water partitition coefficient (L/kg) 1000
Sediment-water partitition coefficient (L/kg) 1000
Suspended solids-water partitition coefficient (L/kg) 1000

Results and discussion

Any other information on results incl. tables

Predicted concentrations in the various compartments as defined by the model as shown in the table below. Degradation in the soil was not taken into account and the model was not calibrated. Measured concentrations in arable soil were generally below 1 ppm. Results are the 5^thand 95^thpercentile values from the analysis and the normal average.

	Average	5 percentile	95 percentile
air (ug/m^3)	3.23 E-12	--	--
biota (ppm)	5.99 E-2	7.11 E-3	1.95 E-1
sediment (ppm)	4.90 E-3	3.23 E-3	1.38 E-2
arable soil (ppm)	44.2	7.02	1.11 E+2
suspended. matter (ppm)	3.79	0.449	12.3
dissolved in water (mg/L)	3.79 E-3	4.49 E-4	1.23 E-2
suspended in water (mg/L)	7.81 E-5	1.54 E-5	2.16 E-4

Applicant's summary and conclusion

Conclusions:

Estimation by calculation with a level III model shows that LAS partitions to soil, though this value may be overpredicted as the model did not take into account degradation in the soil.

Executive summary:

The HAZCHEM derived from MacKay type level III model was used to calculate the distribution of LAS in the environment. Results show that most of the LAS partitions to soil, with relatively little in water or air. However, the amount in soil may be overpredicted as the model did not take into account degradation in soil.