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EC number: 221-921-6 | CAS number: 3282-30-2
Phototransformation in air
Administrative data
Link to relevant study record(s)
Description of key information
Parent compound pivaloyl chloride (CAS 3282-30-2): After evaporation or exposure to air, the substance will be slowly degraded by photochemical processes.
Hydrolysis product pivalic acid (CAS 75-98-9): After evaporation or exposure to air, the substance will be slowly degraded by photochemical processes.
Key value for chemical safety assessment
Additional information
QSAR-disclaimer:
In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met.
According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.
For the assessment of pivaloyl chloride (CAS 3282-30-2) (Q)SAR results were used for phototransformation in air.
The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint is sufficiently covered and suitable for risk assessment.
Therefore, further experimental studies on phototransformation in air are not provided.
Assessment:
Parent compound pivaloyl chloride:
Based on an estimated OH radical rate constant of 1.59 E-12 cm3/(molecule*sec), the half-life of pivaloyl chloride was calculated to be 10.1 days (conditions: sensitiser for indirect photolysis: OH; 0.5 E06 OH/cm3, 24-h d; BASF SE, 2019). Based on the EPI Suite calculation the substance will be slowly degraded by photochemical processes, after evaporation or exposure to air.
Hydrolysis product pivalic acid:
Based on an estimated OH radical rate constant of 1.02 E-12 cm3/(molecule*sec), the half-life of pivalic acid was calculated to be 15.7 days (conditions: sensitiser for indirect photolysis: OH; 0.5 E06 OH/cm3, 24-h d; BASF SE, 2019). Based on the EPI Suite calculation the substance will be slowly degraded by photochemical processes, after evaporation or exposure to air.
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