Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
basic toxicokinetics
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
A written assessment of toxicokinetic behaviour is considered appropriate for the substance. The substance displays only minor toxicological effects in any of the studies proposed, and is deemed to be be not harmful for health effects. As such, it is deemed inappropriate in terms of animal welfare to conduct a toxicokinetic assessment when no harmful effects are predicted based on known toxicology. A written assessment has therefore been prepared to address this endpoint.

Data source

Materials and methods

Objective of study:
other: Assessment of toxicokinetic behaviour
Principles of method if other than guideline:
Written assessment based on toxicological profile.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
EC Number:
267-029-0
EC Name:
Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
Cas Number:
67762-64-5
Molecular formula:
CxHyO6 Where x = 21, 23, 25 or 27 and where y = 38, 42, 46 or 50
IUPAC Name:
Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
Details on test material:
Not applicable

Test animals

Species:
other: Not applicable

Administration / exposure

Details on exposure:
Not applicable
Duration and frequency of treatment / exposure:
Not applicable
Doses / concentrations
Remarks:
Doses / Concentrations:
Not applicable
No. of animals per sex per dose / concentration:
Not applicable
Positive control reference chemical:
Not applicable
Details on study design:
Not applicable
Details on dosing and sampling:
Not applicable
Statistics:
Not applicable

Results and discussion

Metabolite characterisation studies

Metabolites identified:
not measured
Details on metabolites:
Not applicable

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): low bioaccumulation potential based on study results
The conclusion of a written assessment of toxicokinetic behaviour is that the substance has low bioaccumulation potential.
Executive summary:

By read-across, there is no evidence that heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate is significantly absorbed via the dermal route. The results of an oral repeated dose toxicity studies with read-across substance, fatty acids, C5-10, esters with pentaerythritol, indicate that heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3 -propanediol pentanoate may be absorbed orally. It is likely that the ester groups in heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate undergo lipase-catalysed hydrolysis in the gastrointestinal tract, releasing short chain fatty acids and trimethylolpropane. Following absorption, the short chain fatty acids are transported to the tissues of the body including the liver where they undergo oxidation in the cells. Trimethylolpropane is water soluble therefore it is most probably excreted in the urine unchanged or in conjugated form.

In conclusion, the substance has low bioaccumulation potential.