Registration Dossier
Registration Dossier
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EC number: 291-909-3 | CAS number: 90506-47-1
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation, other
- 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:
- 1. SOFTWARE and Model
OECD QSAR ToolBox 4.2
2. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Since Arcot 3135 is a UVCB substance, it cannot directly used as input for the derivation of QSAR. The substance used is the part of interest of the substance Arcot 3135, according to the known composition of the substance. Other possible chemical group of Arcot 3135 do not contain any possible sensitising alert.
SMILES : CC(C)CCCCCCCCCCOP(O)(O)=O
NAME : 11-methyldodecyl dihydrogen phosphateisotridecyl dihydrogen phosphate Phosphoric acid, monoisotridecyl ester
CAS Number : 50977-11-2
3. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL AND APPLCABILITY DOMAIN
See https://www.qsartoolbox.org/
4. ADEQUACY OF THE RESULT
See "QPRF_Classification-Skin-Irritation_PhenoxyPhenol-ToolBow_V1" in attached justification
Data source
Reference
- Reference Type:
- other: Model
- Title:
- QSAR Toolbox 4.2
- Year:
- 2 018
- Bibliographic source:
- Organisation for Economic Co-operation and Development & European Chemicals Agency
Materials and methods
Test guideline
- Guideline:
- other: REACH guidance on QSARs R.6
- GLP compliance:
- no
Test material
- Reference substance name:
- Phosphoric acid, C8-16-alkyl esters, reaction products with (Z)-N-9-octadecenyl-1,3-propanediamine
- EC Number:
- 291-909-3
- EC Name:
- Phosphoric acid, C8-16-alkyl esters, reaction products with (Z)-N-9-octadecenyl-1,3-propanediamine
- Cas Number:
- 90506-47-1
- Molecular formula:
- complex substance
- IUPAC Name:
- Phosphoric acid, C8-16-alkyl esters, reaction products with (Z)-N-9-octadecenyl-1,3-propanediamine
- Test material form:
- liquid: viscous
Constituent 1
- Specific details on test material used for the study:
- SMILES : CC(C)CCCCCCCCCCOP(O)(O)=O
Results and discussion
In vivo (non-LLNA)
Results
- Reading:
- 1st reading
- Group:
- other: QSAR
- No. with + reactions:
- 0
- Total no. in group:
- 0
- Clinical observations:
- Negative
- Remarks on result:
- other: Negative
Any other information on results incl. tables
Based on the OECD QSAR Toolbox (read-across approach), Arcot3135 is predicted as not sensitising.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Based on the OECD QSAR Toolbox (read-across approach), Arcot3135 is predicted as not sensitising.
- Executive summary:
Based on the OECD QSAR Toolbox (read-across approach), Arcot3135 is predicted as not sensitising.
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