1,1,3,3-tetramethylbutyl peroxyneodecanoate

Additional ecotoxological information

Administrative data

Endpoint:

additional ecotoxicological information

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

3 (not reliable)

Rationale for reliability incl. deficiencies:

other: Not conducted as a guideline study but as a Research based internal communication on the properties of the test chemical. Usable in support of the environmental risk assessment only.

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2011

Materials and methods

Test guideline

Qualifier:

no guideline followed

Principles of method if other than guideline:

NMR used to determine the identification of degradation products.

GLP compliance:

no

Type of study / information:

Series of NMR spectra indicating what is formed when the test chemical is in contact with water for extended periods of time.

Test material

Test material information

Constituent 1

Reference substance name:

1,1,3,3-tetramethylbutyl peroxyneodecanoate

EC Number:

257-077-0

EC Name:

1,1,3,3-tetramethylbutyl peroxyneodecanoate

Cas Number:

51240-95-0

Molecular formula:

C18H36O3

IUPAC Name:

2,4,4-trimethylpentan-2-yl 2,2,3,5-tetramethylhexaneperoxoate; 2,4,4-trimethylpentan-2-yl 2,2-diethylhexaneperoxoate; 2,4,4-trimethylpentan-2-yl 2,2-dimethyloctaneperoxoate; 2,4,4-trimethylpentan-2-yl 2,4-dimethyl-2-(propan-2-yl)pentaneperoxoate; 2,4,4-trimethylpentan-2-yl 2-ethyl-2,5-dimethylhexaneperoxoate

Test material form:

gas under pressure: refrigerated liquefied gas

Details on test material:

Trigonox 423-C70

Results and discussion

Any other information on results incl. tables

Test can theoretically be degraded to the following:

Neodecanoicacid No Signal for quantification

TMBH (Hydroperoxide)

2,2,4-trimethylpentanol-2

Neopentylalcohol

Acetone

Applicant's summary and conclusion

Conclusions:

There are multiple possible degradation products (both thermal and hydrolytic) for the test substance in water. All substances with the exception of
neodecanoic acid were positively identified. The chemical formular indicate that theoretically 2,2,4-trimethylpentanol-2 and neodecanoic acid are the most likely candidates for degradation products. The increasing concentration of 2,2,4-trimethylpentanol-2 with time was confirmed by the data in this investigation. Due to the lack of ready biodegradability \ these two components should be considered when considering the environmental risk.
This data is not reliable in its own right but is usable as supporting evidence.

Executive summary:

Non GLP. Non Guideline. Degradation product identification study using NMR analysis. Test substance added above solubility limit to water. Usable as supporting evidence only.