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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 211-443-6 | CAS number: 645-45-4
- 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
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Justification for type of information:
- Data from secondary literature
Data source
Reference
- Reference Type:
- secondary source
- Title:
- Mutagenicity of Chlorinated Aromatic Hydrocarbons containing Oxygen
- Author:
- Tadamichi Ohkubo, Sumio Gotoz, Osamu Endoz, Tetsuhito Hayashi, Etsuo Watanabe and Hideaki Endo
- Year:
- 1 996
- Bibliographic source:
- JEC 6 (4), 533-540, 1996
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: Test guideline 9 of the Department of Labor, Japan
- Principles of method if other than guideline:
- Mutagenicity Tests of 3 phenylpropionylchloride was performed by using Bacterial Gene mutation assay
- GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 3-phenylpropionyl chloride
- EC Number:
- 211-443-6
- EC Name:
- 3-phenylpropionyl chloride
- Cas Number:
- 645-45-4
- Molecular formula:
- C9H9ClO
- IUPAC Name:
- 3-phenylpropanoyl chloride
- Test material form:
- solid
- Details on test material:
- - Name of test material (as cited in study report): 3 phenylpropionylchloride- Molecular formula:C9H9ClO- Molecular weight :168.622- Substance type: organic- Physical state: solid -Purity: No data available - Impurities (identity and concentrations): No data avaliable
Constituent 1
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 3 phenylpropionylchloride- Molecular formula:C9H9ClO- Molecular weight :168.622- Substance type: organic- Physical state: solid -Purity: No data available - Impurities (identity and concentrations): No data avaliable
Method
- Target gene:
- Histidine and Tryptophan
Species / strainopen allclose all
- Species / strain / cell type:
- S. typhimurium, other: TA98, TA100,TA104
- Details on mammalian cell type (if applicable):
- no data available
- Additional strain / cell type characteristics:
- not specified
- Species / strain / cell type:
- E. coli WP2 uvr A pKM 101
- Details on mammalian cell type (if applicable):
- No data available
- Additional strain / cell type characteristics:
- not specified
- Cytokinesis block (if used):
- no data available
- Metabolic activation:
- with and without
- Metabolic activation system:
- Enzyme with polychlorinated biphenyl (PCB, Kanechlor-500) and (P-450) induced the Sprague-Dawley male rats S9 mix
- Test concentrations with justification for top dose:
- 0-1000 µg/plate
- Vehicle / solvent:
- - Vehicle(s)/solvent(s) used: DMSO - Justification for choice of solvent/vehicle: Test substance soluble in DMSO
Controls
- Untreated negative controls:
- not specified
- Negative solvent / vehicle controls:
- yes
- Remarks:
- DMSO
- True negative controls:
- not specified
- Positive controls:
- not specified
- Details on test system and experimental conditions:
- Method of application: Pre incubation DURATIONPreincubation period: at 37°C in a water bath, 20 minutes, 80 times/minExposure duration: at 37°C,48-60 hoursExpression time (cells in growth medium):Selection time (if incubation with a selection agent):No dataFixation time (start of exposure up to fixation or harvest of cells):No dataNUMBER OF REPLICATIONS: No dataDETERMINATION OF CYTOTOXICITY- Method: mitotic index; cloning efficiency; relative total growth;- other: No data
- Rationale for test conditions:
- No data available
- Evaluation criteria:
- There is a dose-response relationship between the (dose) and the response (the return rate variability colonies). If the response had more than twice the control (natural variation number of colonies ) the mutagenicity is positive (positive); dose-response relationship if accepted ,but false positive if the response is two times less than 1.5 times greater than the control (pseudopositive),Further , if or when the response dose-response relationship was not observed is less than 1.5 times the control were negative (negative).
- Statistics:
- No data available
Results and discussion
Test resultsopen allclose all
- Species / strain:
- S. typhimurium, other: TA98, TA100,TA104
- Metabolic activation:
- with and without
- Genotoxicity:
- positive
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Species / strain:
- E. coli WP2 uvr A pKM 101
- Metabolic activation:
- with
- Genotoxicity:
- positive
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- not specified
- Untreated negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Species / strain:
- E. coli WP2 uvr A pKM 101
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- not specified
- Untreated negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Additional information on results:
- No data available
- Remarks on result:
- other: positive
Any other information on results incl. tables
Table 1:Mutagenicity of 3 phenylpropionylchloride by pre-incubation method employing S. typhimurium
Salmonella Typhimurium Strains | Revertants/µg without S9 mix | Revertants/µg with S9 mix |
TA98 | 0.1 | 0.2 |
TA100 | 0.3 | 1.7 |
TA104 | 0.6 | 1.2 |
Table 2:Mutagenicity of 3 phenylpropionylchloride by pre-incubation method employing Escherichia ColiWP2 UVRA/pKM101
Compound | Revertants/µg without S9 | Revertants/µg with S9 |
3 phenylpropionyl chloride | (0.5) | 0.6 |
() = pseudopositive
Applicant's summary and conclusion
- Conclusions:
- Mutagenicity test of 3-phenylpropionyl chloride was carried out in Salmonella Typhimurium TA100,TA98, TA104 with and without metabolic activation (S9mix) produced mutation and when mutagenicity test was carried out in Escherichia Coli WP2 UVRA/pKM101 with and without metabolic activation (S9mix).3-phenylpropionyl chloride was mutagenic with metabolic activation and non-mutagenic without metabolic activation in Escherichia Coli WP2 UVRA/pKM101, therefore it is considered to be Positive with metabolic activation, negative without metabolic activation for gene mutation in vitro. Therefore it is considered to be positive for gene mutation in vitro
- Executive summary:
Mutagenicity test of 3-phenylpropionyl chloride was done using pre-incubation method employing Salmonella typhimuriumTA100,TA 98,TA104 and Escherichia Coli WP2 UVRA/pKM101 with and without metabolic activation (S9mix). Enzyme with polychlorinated biphenyl (PCB, kanechlor-500) (p-450) induced Sprague-Dawley male rats (5 weeks old) of the S9 fraction cryopreservation product were prepared from the liver , test sample were diluted in dimethylsulfoxide(DMSO).Culture medium in large incubator (370C ,48-60 hr ), and then the revertant colonies were counted in automatic colony counter.If the response had more than twice the control (natural variation number of colonies) the mutation is positive ; dose –response relationship if accepted , but false positive if the response is two times less than 1.5 times greater than the control (pseudopositive ). Further, if or when the response dose –response relationship was observed is less than 1.5 times the control were negative.
3- phenylpropionyl chloride was mutagenic in Salmonella typhimurium TA100,TA98,TA104 with and without metabolic activation and mutagenic with and non -mutagenic without metabolic activation in Escherichia Coli WP2UVRA/ pKM101 .Therefore it is considered to be positive with metabolic activation ,negative without metabolic activation for gene mutation in vitro.
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.