Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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: 603-009-3 | CAS number: 124729-02-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
For irritation skin / eye, a read across to reliable GLP studies performed for a chemical analyogue according OECD TG is provided. No irritation was observed in the studies used for the read across.
Key value for chemical safety assessment
Skin irritation / corrosion
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Additional information
Justification
for read across
Endpoint:Skin
and Eye Irritation
Type of read across:one-to-one
Test Compound (with data):CAS: 174350-05-1
Dossier Compound (without data):CAS: 124729-02-6
The read across is based on the following similarity measures:
(1) Chemical
similarity:
The test compound
(CAS: 174350-05-1) provides all main chemical features present in the
dossier compound (CAS: 124729-02-6). Both substances share typical
structural features for liquid crystals, i.e. one phenyl ring coupled
via single bond to a cyclohexyl ring.
Comparing dossier and test compound yields the same substitution pattern at the phenyl ring, i.e. a Fluor substitution (dossier compound: n=2, test compound: n=2) and a para ethoxy substituent.
The cylohexyl ring of both
compounds shows a para alkyl substitution of different chain length
(dossier cpd.: n=5;
test cpd.: n=3). Thus, the only difference in terms of chemical
structure is the length of the alkyl chain connected to the core
structure. Overall, this almost perfect match results in a high
chemical similarity score of 1.00 (Tanimoto).
(2)
Physicochemical similarity
The
high chemical similarity yields almost identical physicochemical key
parameters relevant for bioavailability as listed in the table below.
Assay |
Test Compound |
Dossier Compound |
Cyclohexyl phenyl core |
yes |
yes |
Terminal alkyl chain at the cyclohexyl ring |
propyl |
pentyl |
Terminal alkoxy chain at the phenyl ring |
ethoxy |
ethoxy |
Liquid crystalline properties |
yes |
yes |
Fluoro Substitution at the phenyl ring |
yes (n=2) |
yes (n=2) |
Water solubility |
130 µg/L |
30 µg/L (EU A.6) |
logP |
> 5.7 (OECD 117, EU A.8) |
> 6.5 |
Eye irritation in vivo |
negative (OECD 405) |
negative (Read Across) |
Skin irritation in vivo |
negative (OECD 404) |
negative (Read Across) |
Conclusion
The
Dossier Compound shows a data gap for Skin and Eye irritation;
however, a chemical analogue provides data for these endpoints. Both
the Dossier Compound and the Test Compound show a very high chemical
similarity and almost identical physicochemical parameters leading to
similar bioavailability.
Based on these finding it is justified to use the data from the chemical
analogue (Skin irritation in vivo: negative (GLP, OECD TG 404); Eye
irritation in vivo (GLP, OECD TG 405)) to fill the data gap for the
dossier compound.
Justification for selection of skin irritation / corrosion
endpoint:
This study was performed according to GLP and the methods applied
are fully compliant with OECD TG 404.
Justification for selection of eye irritation endpoint:
This study was performed according to GLP and the methods applied
are fully compliant with OECD TG 405.
Justification for classification or non-classification
According to the results of the irritation tests, a classification and labelling is not required for this substance.
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.