Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate

PBT assessment

PBT assessment: overall result

PBT status:

the substance is not PBT / vPvB

Justification:

Based on the result of the screening test for biodegradation in water with read-across substance, decanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol octanoate (CAS-No. 11138-60-6), heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate is considered to be readily biodegradable and therefore not persistent.

As the substance is a UVCB, it is difficult to assess the substance using a standard test. Therefore an assessment was undertaken utilizing recognised QSAR derivation software. For the purposes of hazard assessment, a geometric mean BCF was calculated from the results of the QSAR assessments categorised as Klimisch 2. The geometric mean BCF is 289.9 L/kg ww. Whilst this mean result is presented as only a general indication, this supports the overall conclusion that the substance is not considered to be “bioaccumulative” or “very bioaccumulative” on the basis of the available data. As such, the substance does not fulfil the requirement of Annex XIII, Para 1.2 and cannot be considered to be “B” or “vB”.

A 15-day reproduction test in Daphnia with read-across substance, decanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol octanoate, showed no effectsin the range of water solubility with an NOELR = 2570 mg/L (15 d) based on reproduction and immobilisation. Therefore, by read-across, heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate is not expected to cause long-term toxicity in aquatic invertebrates. No long-term toxicity studies have been conducted in fish, however, read-across substance, decanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol octanoate has been shown to be not harmful to aquatic organisms up to the limit of the water solubility based on the results from short-term studies of different trophic levels (fish, daphnia, algae).

Based on the results of three in vitro genetic toxicity studies and one in vivo genetic toxicity study conducted with read-across substances, heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate, is not considered to be mutagenic.

In a prenatal developmental study in rats with a read-across substance, no adverse effects on development were observed. The read-across substance, CAS No. 68424-31-7, caused no systemic or local toxic effects in a 28 day repeated dose study and no adverse effects on reproductive organs or tissues were observed in this study. Fatty acid polyols are metabolised by hydrolysis to the fatty acids and the respective polyols. This process is catalysed by esterases and carboxylases. Fatty acids are naturally occurring substances, which are used in normal, physiological processes. No carcinogenicity studies have been conducted, however, there is no evidence from the repeated dose toxicity studies to suggest that the substance is carcinogenic.

A 28 day oral repeated dose toxicity study was conducted in rats with read-across substance, fatty acids, C5-10, esters with pentaerythritol. Repeated dietary administration of the test material to rats, up to and including a dose level of 1450 mg/kg bw/day for male rats and 1613 mg/kg bw/d for female rats, did not produce any evidence of overt toxicity. Therefore, by read-across, heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate is not classified as toxic after repeated exposure.

In conclusion, the substance does not fulfil the requirements of Annex XIII, Para 1.3 based on evaluation of available data, and cannot be considered as “T” for the purposes of the assessment.

Summary and overall Conclusions on PBT or vPvB Properties

 

The substance cannot be considered to fulfil all the criteria for Persistence, Toxicity or Bioaccumulation, as specified in REACH Annex XIII. As such, the substance cannot be considered a PBT or vPvB substance, based on the available data.