Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
QSAR prediction

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2020
Report date:
2020

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH guidance on QSARs
Principles of method if other than guideline:
ACD/Percepta (Advanced Chemistry Development, Inc., Pharma Algorithms, Inc.) (release 2018.2.5)
GLP compliance:
no
Test type:
other: QSAR

Test material

1
Chemical structure
Reference substance name:
(S)-3-(tert-butylamino)propane-1,2-diol
EC Number:
250-125-1
EC Name:
(S)-3-(tert-butylamino)propane-1,2-diol
Cas Number:
30315-46-9
Molecular formula:
C7H17NO2
IUPAC Name:
(2S)-3-(tert-butylamino)propane-1,2-diol
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
Smile: CC(C)(C)NC[C@H](O)CO

Test animals

Species:
rat

Administration / exposure

Route of administration:
oral: unspecified

Results and discussion

Effect levels
Sex:
not specified
Dose descriptor:
LD50
Effect level:
2 900 mg/kg bw
Based on:
test mat.

Applicant's summary and conclusion

Interpretation of results:
Category 5 based on GHS criteria
Conclusions:
Acute oral LD50 in rat equal to 2900 mg/kg (non toxic, no classification is required).

The target compound 1-tert-Butylamino-2,3-propanediol, (S)- is included in the model applicability domain since the RI is greater than 0.3 (RI equal to 0.31). Borderline reliable.