1-(2-hydroxy-5-nonyl(branched)-phenyl)ethanone oxime

Phototransformation in air

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

phototransformation in air

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Validated QSAR model

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Calculation based on AOPWIN v1.92, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

GLP compliance:

no

Estimation method (if used):

PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5E+06 radicals/cm3
- Degradation rate constant: 59.9607 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92

DT50:

6.42 h

Test condition:

calculation based on a 24 h day

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Result refers to the uncharged molecule. The estimation is based on a 24 hour day.

Reference 2

Endpoint:

phototransformation in air

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Remarks:

for relevant impurity

Justification for type of information:

QSAR prediction

Principles of method if other than guideline:

Calculation based on AOPWIN v1.92, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

GLP compliance:

no

Estimation method (if used):

PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5E+06 radicals/cm3
- Degradation rate constant: 51.4478 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92

DT50:

7.48 h

Test condition:

calculation based on a 24 h day

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Result refers to the uncharged molecule. The estimation is based on a 24 hour day.

Description of key information

Ethanone, 1-(2-hydroxy-5-nonylphenyl)-, oxime, branched is susceptible to indirect photodegradation in air. However, phototransformation in air is not considered to be relevant due to the low vapour pressure (< 1.5 Pa at 20 °C).

Additional information

No experimental studies investigating the phototransformation in air of Ethanone, 1-(2-hydroxy-5-nonylphenyl)-, oxime, branched (CAS 244235-47-0) are available. Thus, phototransformation in air was calculated for the substance to register and the relevant impurity Phenol, 4-nonyl-, branched (CAS 84852-15-3) using AOPWIN v1.92 (BASF, 2014). The results indicate that Ethanone, 1-(2-hydroxy-5-nonylphenyl)-, oxime, branched as well as Phenol, 4-nonyl-, branched are susceptible to indirect photodegradation in air. The estimated half-life for the reaction with OH-radicals is 6.42 h and 7.48 h, respectively (24 h day; OH-concentration: 0.5E+06 OH/cm³).

However, this environmental fate process is considered to be negligible, since the test substance is not expected to be present in the atmosphere to a significant degree based on its relatively low vapour pressure under ambient conditions (< 1.5 Pa at 20 °C). Vapour pressures of branched nonylphenol components were determined to be comparably low (e.g., ~ 0.1 Pa by Bidleman and Renberg 1985). As this study is not a standard information requirement according to Regulation (EC) No 1907/2006 and there is no indication from the Chemical Safety Assessment (CSA) on the need to investigate further the fate and behaviour of the substance (Annex X requirement), no further testing is considered necessary for Ethanone, 1-(2-hydroxy-5-nonylphenyl)-, oxime, branched.