Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 208-874-7 | CAS number: 544-62-7
Acute Toxicity: oral
Administrative data
- Endpoint:
- acute toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 30th March, 2018
- Reliability:
- 1 (reliable without restriction)
- 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:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- GLP compliance:
- no
- Test type:
- other: In Silico Prediction of Acute Oral Toxicity
- Limit test:
- no
Test material
- Reference substance name:
- Batilol
- EC Number:
- 208-874-7
- EC Name:
- Batilol
- Cas Number:
- 544-62-7
- Molecular formula:
- C21H44O3
- IUPAC Name:
- 3-(octadecyloxy)propane-1,2-diol
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- Smiles : CCCCCCCCCCCCCCCCCCOCC(O)CO
Results and discussion
Effect levels
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- ca. 6 200 mg/kg bw
- Based on:
- test mat.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Executive summary:
The purpose of the in silico study was to predict the Acute Oral Toxicity of the test item 3-octadecoxypropane-1,2-diol. This prediction was performed using the following QSAR models.
• US EPA T.E.S.T. v4.2.1
• Danish QSAR Database
Based on multiple QSAR models applied, the final Acute Oral Toxicity for 3-octadecoxypropane-1,2-diol was predicted as 6200 mg/kg (Oral Rat LD50).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
