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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Toxicological information

Acute Toxicity: oral

Currently viewing:

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

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
no guideline available
Principles of method if other than guideline:
Consensus model in Test v4.2.1
Model prediction report is attached in IUCLID
GLP compliance:
no
Test type:
other: QSAR predicition

Test material

Constituent 1
Chemical structure
Reference substance name:
Myo-inositol
EC Number:
201-781-2
EC Name:
Myo-inositol
Cas Number:
87-89-8
Molecular formula:
C6H12O6
IUPAC Name:
cyclohexane-1,2,3,4,5,6-hexol
Details on test material:
- Purity: Not applicable
- Smiles: OC1C{P-}(O)C{P-}(O)C{P-}(O)C{P+}(O)C{P-}1O

Test animals

Species:
rat

Results and discussion

Effect levels
Key result
Dose descriptor:
LD50
Effect level:
19 483.68 mg/kg bw
Remarks on result:
other: QSAR predicted value

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
LD50 (rat): 19483.68 mg/kg
Executive summary:

The consensus model in Times v4.2 was used to predict the acute toxicity to rats. The oral LD50 in rats was predicted to be 19483.68 mg/kg. Additional supporting documentation is provided in the prediction report attached in IUCLID.