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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 402-070-1 | CAS number: 88122-99-0 UVINUL T 150
Categories
- Category name:
- Read across_Category_in vitro mammalian cell gene mutation test
Justifications and discussions
- Category definition:
- in vitro gene mutation study in mammalian cells
- Category description:
- log Kow: from 8.12 to 18.5 target chemical is in domain
- Category rationale:
- REPORTING FORMAT FOR THE CATEGORY APPROACH
1. CATEGORY HYPOTHESIS
By using different grouping methods to group chemicals into chemical categories according to different measures of similarity so that within a category a QSAR model can be established. We select profiles related to generic toxicity, including “in vitro mutagenicity (Ames test) alerts by ISS”, “in vivo mutagenicity (Micronucleus) alerts by ISS”, “Aquatic toxicity classification by ECOSAR”, “in vitro mutagenicity (Ames test) alerts by ISS with Rat liver S9 metabolism simulator” and “in vivo mutagenicity (Micronucleus) alerts by ISS with Rat liver S9 metabolism simulator”. Besides, generic toxicity depends on the solubility, shape and reactivity of the chemicals. Therefore, we select "logkow" to describe solubility, “US-EPA New Chemical Categories”, “Chemical elements” and “Organic functional groups, Norbert Haider (checkmol)” to describe the shape of molecule, empiric profiles “DNA binding by OECD” and “Protein binding by OECD” to describe the reactivity.
2. CATEGORY JUSTIFICATION
Reliable predicted value obtained by the OECD QSAR Toolbox 4.5 SP1 using Read-across within category members.The prediction fulfilling the OECD criteria for the validation of QSAR models with respect to • a defined endpoint • unambiguous algorithm • a defined domain of applicability • appropriate measure of goodness-of-fit, robustness and predictivity • a mechanistic interpretation.
OECD Principle 1 - Defined endpoint: Human Health Hazards -> Genetic Toxicity -> in Vitro -> Mammalian Cell Gene Mutation Assay -> in vitro gene mutation study in mammalian cells.
OECD principle 2 - Unambiguous algorithm: takes the mode value from the 5 nearest neighbours
Active descriptor: log Kow (calculated)
Data usage: All values*
*When multiple values are available for the same chemical, all of them are taken individually in prediction calculations
OECD principle 3 - Applicability domain
Database(s) used:
- ECHA REACH
Category boundaries (applicability domain):
- Active descriptor(s) range:
- log Kow: from from 8.12 to 18.5 target chemical is in domain
- Response range:
- in vitro gene mutation study in mammalian cells: negative (x6)
Profilers:
- No alert found (in vitro mutagenicity (Ames test) alerts by ISS) (primary grouping) target chemical is in domain
- in vivo mutagenicity (Micronucleus) alerts by ISS (subcategorization) target chemical is in domain
- DNA binding by OECD (subcategorization) target chemical is in domain
- Aquatic toxicity classification by ECOSAR (subcategorization) target chemical is in domain
- US-EPA New Chemical Categories (subcategorization) target chemical is in domain
- Protein binding by OECD (subcategorization) target chemical is in domain
- Chemical elements (subcategorization) target chemical is in domain
- in vitro mutagenicity (Ames test) alerts by ISS with Rat liver S9 metabolism simulator (subcategorization) target chemical is in domain
- in vivo mutagenicity (Micronucleus) alerts by ISS with Rat liver S9 metabolism simulator (subcategorization) target chemical is in domain
- Organic functional groups, Norbert Haider (checkmol) (subcategorization) target chemical is in domain
OECD principle 4 - Uncertainty of the prediction:
The prediction is based on 6 values, 6 of them (100%) equal to predicted value
Prediction confidence is measured by the p-value: 8.5E-06
OECD principle 5 - Chemical and biological mechanisms
No alert found (in vitro mutagenicity (Ames test) alerts by ISS) (primary grouping): No alert found
in vivo mutagenicity (Micronucleus) alerts by ISS (subcategorization): No alert found
DNA binding by OECD (subcategorization): No alert found
Aquatic toxicity classification by ECOSAR (subcategorization): Esters; Melamines
US-EPA New Chemical Categories (subcategorization): Not categorized
Protein binding by OECD (subcategorization): No alert found
Chemical elements (subcategorization): Group 14 - Carbon C; Group 15 - Nitrogen N; Group 16 - Oxygen O
in vitro mutagenicity (Ames test) alerts by ISS with Rat liver S9 metabolism simulator (subcategorization): No alert found; Simple aldehyde
in vivo mutagenicity (Micronucleus) alerts by ISS with Rat liver S9 metabolism simulator (subcategorization): No alert found; Simple aldehyde
Organic functional groups, Norbert Haider (checkmol) (subcategorization): Amine; Aromatic compound; Carboxylic acid derivative; Carboxylic acid ester; Heterocyclic compound; Secondary amine; Secondary aromatic amine
3. APPLICABILITY DOMAIN OF THE CATEGORY
log Kow: from 8.12 to 18.5 target chemical is in domain
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.
