Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester

PBT assessment

PBT assessment: overall result

Reference

Name:

Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester

Type of composition:

legal entity composition of the substance

State / form:

solid: particulate/powder

Reference substance:

Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester

PBT status:

the substance is not PBT / vPvB

Justification:

Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester is considered as being potentially persistent (P) or very persistent (vP), not bioaccumulative (B) or very bioaccumulative (vB) and not toxic (T). Based on this, the substance is not a PBT/vPvB.

 

Persistence Assessment

The test conducted in accordance with the standardised guidelines OECD 301 B and EU method C.4 determined that the substance is not readily biodegradable. Therefore the substance is regarded as being potentially persistent (P) or very persistent (vP).

 

Bioaccumulation Assessment

In a test conducted in accordance with the standardised guidelines OECD 117 and EU Method A.8 using the column elution method, the Log Kow of the test substance was determined to be >7.8. The test material eluted after the highest reference standard and it was therefore not possible to determine an exact value. When the substance was entered into EPI Suite, a prediction was made for the Log Kow of the substance and this value was 9.67.

The high Log Kow in conjunction with the high molecular weight of the substance (586) can be considered as physicochemical indicators for hindered uptake and distribution.

As part of the assessment for bioaccumulation, as no bioaccumulation experimental studies are known to have been undertaken the substance was entered into the EPI Suite program and a prediction made for bioaccumulation. Bioconcentration Factors (BCF) have been estimated using EPI Suite, based on a calculated Log Kow of 9.67 and using the regression-based and Arnot-Gobas methods.

 

Regression-based method:

- Log BCF:  2.221  (BCF = 1.662 L/kg wet-wt)

 

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

- Estimated Log BCF (upper trophic) = 0.701 (BCF = 5.023 L/kg wet-wt)

- Estimated Log BAF (upper trophic) = 2.791 (BAF = 617.8 L/kg wet-wt)

- Estimated Log BCF (mid trophic) = 0.821 (BCF = 6.62 L/kg wet-wt)

- Estimated Log BAF (mid trophic) = 3.109 (BAF = 1286 L/kg wet-wt)

- Estimated Log BCF (lower trophic) = 0.858 (BCF = 7.216 L/kg wet-wt)

- Estimated Log BAF (lower trophic) = 3.303 (BAF = 2010 L/kg wet-wt)

 

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):

- Log BCF (upper trophic) = 2.248 (BCF = 176.9 L/kg wet-wt)

- Log BAF (upper trophic) = 5.948 (BAF = 8.87e+005 L/kg wet-wt)

 

The regression-based and Arnot-Gobas methods indicated that the substance has a BCF << 2000 L/kg; therefore it can be concluded that the substance does not meet the B or vB criteria.

 

Toxicity Assessment

The substance is unclassified and does not demonstrate signs of acute aquatic toxicity in either fish daphnia or algae. The substance does not meet the criteria for classification as carcinogenic, mutagenic, toxic for reproduction or for classification after repeated exposure.

Comparison of the available data on the substance against the both the screening criteria and assessment criteria set out respectively in Sections 3.1.3 and 1.1.3 of Annex XIII to the REACH Regulation indicates that the existing data demonstrate a lack of applicable hazard classification and thus butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester does not meet the Toxicity (T) criterion.