Sodium N-methyltaurinate

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

The bioaccumulation is estimated using the log BCF (regression based estimate), Biotransformation Half-Life and the log BAF (Arnot-Gobas upper trophic) by BCFBAF v3.01, using EPI Suite.

Principles of method if other than guideline:

The bioaccumulation is estimated using the log BCF (regression based estimate), Biotransformation Half-Life and the log BAF (Arnot-Gobas upper trophic) by BCFBAF v3.01.

GLP compliance:

not specified

Specific details on test material used for the study:

Calculation is based on the structure of N-methyltaurinate
- Name of test material (as cited in study report): Ethanesulfonic acid, 2- (methylamino)-, monosodium salt

Details on estimation of bioconcentration:

Log BCF = 0.50 (Ionic; Log Kow dependent)

Type:

BCF

Value:

3.16 L/kg

Remarks on result:

other: Regression-based estimate

Type:

BAF

Value:

0.893 L/kg

Remarks on result:

other: Arnot-Gobas upper trophic

Parameter:

DT50

Depuration time (DT):

0.008 d

Whole Body Primary Biotransformation Rate Estimate for Fish:
Type	Num	Log biotransformation fragment description	Coeff	Value
Frag	1	Aliphatic amine  [-NH2 or -NH-]	0.4067	0.4067
Frag	1	Sulfonic acid / salt -> aliphatic attach	0.0000	0.0000
Frag	1	Methyl [-CH3]	0.2451	0.2451
Frag	2	-CH2- [linear]	0.0242	0.0484
L Kow	*	Log Kow = -2.90 (estimate)	0.3073	-0.8900
MolWt	*	Molecular weight parameter		-0.3569
Const	*	Equation constant		-1.5058
Result		Log Bio Half-Life (days)		-2.0837
Result		Bio Half-Life (days)		0.008247
Bio Half-Life Normalized to 10 g fish at 15 deg C

Biotransformation Rate Constant:

kM (Rate Constant): 84.05 /day (10 gram fish)

kM (Rate Constant): 47.26 /day (100 gram fish)

kM (Rate Constant): 26.58 /day (1 kg fish)

kM (Rate Constant): 14.95 /day (10 kg fish)

Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):

Estimated Log BCF, Log BAF (upper trophic) = -0.049 (BCF, BAF = 0.893 L/kg wet-wt)

Estimated Log BCF, Log BAF (mid trophic) = -0.031 (BCF, BAF = 0.9315 L/kg wet-wt)

Estimated Log BCF, LOG BAF (lower trophic) = -0.027 (BCF, BAF = 0.9402 L/kg wet-wt)

assuming a biotransformation rate of zero:

Estimated Log BCF, Log BAF (upper trophic) = -0.049 (BCF, BAF = 0.893 L/kg wet-wt)

Validity criteria fulfilled:

not applicable

Conclusions:

The bioaccumulation potential of sodium N-methyltaurinate is low according to the estimation by calculation. The estimated BCF is 3.16 L/kg, BAF is 0.893 L/kg and biotransformation half-life is 0.00825 days.

Executive summary:

The bioaccumulation potential of sodium N-methyltaurinate is low according to the estimation by calculation. The BCF estimation is 3.16 L/kg, BAF is 0.893 L/kg and biotransformation half-life is 0.00825 days. Nevertheless, the EPA recommends that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available. However, empirical studies have not been done, so that we adopt the prediction.

Description of key information

The estimation by calculation for the BCF is 3.16 L/kg, reflecting low bioaccumulation potential of sodium N-methyltaurinate.

Key value for chemical safety assessment

BCF (aquatic species):

3.16 L/kg ww

Additional information

The bioaccumulation potential of sodium N-methyltaurinate is low according to the estimation by calculation. The BCF estimation is 3.16 L/kg, BAF is 0.893 L/kg and biotransformation half-life is 0.00825 days. Nevertheless, the EPA recommends that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available. However, empirical studies have not been done, so that we adopt the prediction.