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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 250-005-9 | CAS number: 30030-25-2
- 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_toxicological-information.png)
Endpoint summary
Administrative data
Description of key information
A weight of evidence approach was used to address the endpoint of skin sensitisation
in vivo
Skin sensitisation studies conducted on guinea pigs resulted in a sensitivity response in 4 out of 6 of the surviving animals.
in vivo - read across
0.01 mg of the structural analogue substance benzyl chloride was injected in the back of guinea pigs twice a week for 12 weeks. After 2 weeks of rest tests were made with the solution used for sensitization by dropping it on the flank. Positive result was obtained using the colouring of the skin as indication. Due to the structural similarity of benzyl chloride and vinylbenzyl chloride, vinylbenzyl chloride is also expected to be sensitising in guinea pigs.
in silico
For the endpoint skin sensitisation two different, scientifically valid QSAR models were applied within a weight-of-evidence approach.
Profiling (OECD QSAR Toolbox v4.1)
Vinylbenzyl chloride was profiled with the OECD QSAR Toolbox, version 4.1. The relevant profilers associated with the Adverse Outcome Pathway of skin sensitisation were evaluated. Alerts for protein reactivity and increased keratinocyte gene expression were identified by various profilers. This gives indication that positive results can be expected for vinylbenzyl chloride in in vivo and in vitro assays.
Read-across (OECD QSAR Toolbox v4.1)
Skin sensitisation of both isomers of vinylbenzyl chloride (CAS 1592-20-7 and CAS 39833-65-3) was predicted with the OECD QSAR Toolbox v4.1 (automated workflow). The read-across analysis was performed for both isomers with the identical five analogue substances. The logKow was used as 'active descriptor'. The prediction was positive for both isomers. It lies within the applicability domain of this model.
CAESAR v2.1.6 (QSAR tool VEGA v1.1.4)
Skin sensitisation of both isomers of vinylbenzyl chloride (CAS 1592-20-7 and CAS 39833-65-3) was predicted with the Skin Sensitization model CAESAR 2.1.6, which is implemented in the QSAR tool VEGA (version 1.1.4.). Predictions for both isomers were positive. However, these prediction do not fall completely in the applicability domain of this model.
OASIS TIMES v2.27.20.1
Both isomers of vinylbenzyl chloride (CAS 1592-20-7 and CAS 39833-65-3) are predicted to be strongly skin sensitising by the skin sensitization model OASIS TIMES v2.27.20.1. However, these predictions do not fall completely in the applicability domain of this model.
Derek Nexus v5.0.2
Both isomers of vinylbenzyl chloride (CAS 1592-20-7 and CAS 39833-65-3) are predicted to be extremely skin sensitising (EC3 values of 0.014 %) by the skin sensitization model Derek Nexus v5.0.2.
Conclusion
The predictions of the applied silico methods are consistent, reliable and are in line with a mechanistic understanding of the Adverse Outcome Pathway of skin sensitisation. Identical predictions were made for both isomers. This is due to the fact that the structural alert 'alkyl halide' is the same in both isomers. The in silico results are also supported by the in vivo study on vinylbenzyl chloride and another in vivo study in guinea pigs for benzyl chloride, and further supported by a positive result for benzyl chloride in the LLNA, which serves as a suitable read-across source.
As a conclusion, vinylbenzyl chloride is considered as skin sensitising.
Key value for chemical safety assessment
Skin sensitisation
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (sensitising)
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Vinylbenzyl chloride is classified as a skin sensitiser according to Regulation (EC) No 1272/2008 (CLP Regulation), because there is much evidence for a skin sensitising mode of action. This is underlined by one in vivo study with vinylbenzyl chloride, one in vivo study in guinea pigs with a source substance suitable for read-across which is further supported by a positive result in the LLNA for this source substance, and two scientifically valid QSAR models making a consistent prediction.
As the reported test results are not sufficient in detail for sub-categorisation into Cat. 1A or 1B the substance is classified as skin sensitiser Cat. 1 (H317: May cause an allergic skin reaction).
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.
![ECHA](/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/echa_logo.png)