Sodium N-methyltaurinate

Phototransformation in air

Link to relevant study record(s)

Reference

Endpoint:

phototransformation in air

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 phototransformation in air is estimated by calculation using AOP v1.92, using EPI Suite.

Principles of method if other than guideline:

The phototransformation in air is estimated by calculation using AOP v1.92.

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

Estimation method (if used):

Photochemical reaction with OH radical

Light source:

not specified

DT50:

ca. 0.141 d

Test condition:

12 h day, 1.5E6 OH/cm^3

Reaction with:

OH radicals

Rate constant:

ca. 0 cm³ molecule-1 s-1

Transformation products:

not specified

Hydrogen Abstraction = 13.0976 E-12 cm3/molecule-sec

Reaction with N, S and -OH = 63.0000 E-12 cm3/molecule-sec

Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec

Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec

Addition to Aromatic Rings = 0.0000 E-12 cm3/molecule-sec

Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec

Validity criteria fulfilled:

not specified

Conclusions:

The calculated phototransformation in air, calculated from the hydroxyl radical turnover rate, is almost zero.

Executive summary:

The estimated phototransformation in air, calculated from the hydroxyl radical turnover rate, is almost zero (76.0976E-12 cm³/molecule/s) and therefore considered to be negligible. The results are calculated using AOP v1.92, i.e. assuming that the phototransformation occurs at a constant rate. The EPA recommends that empirical measures provide better results. However, empirical studies have not been done, so that we adopt the prediction.

Description of key information

The estimated phototransformation in air, calculated from the hydroxyl radical turnover rate, is almost zero.

Key value for chemical safety assessment

Half-life in air:

0.141 d

Degradation rate constant with OH radicals:

0 cm³ molecule-1 s-1

Additional information

The estimated phototransformation in air, calculated from the hydroxyl radical turnover rate, is almost zero (76.0976E-12 cm³/molecule/s) and therefore considered to be negligible. The results are calculated using AOP v1.92, i.e. assuming that the phototransformation occurs at a constant rate. The EPA recommends that empirical measures provide better results. However, empirical studies have not been done, so that we adopt the prediction.