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EC number: 252-242-3 | CAS number: 34841-35-5
- 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
Skin irritation / corrosion
Administrative data
- Endpoint:
- skin irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Prediction report
- Title:
- [R]: 1.84 "Human Health Hazards#Irritation / Corrosion" for 34841-35-5
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 013
- Bibliographic source:
- QSAR Toolbox Version 3.0
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 404 (Acute Dermal Irritation / Corrosion)
- Principles of method if other than guideline:
- Prediction is done using QSAR toolbox Version 3.0
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 3'-chloropropiophenone
- EC Number:
- 252-242-3
- EC Name:
- 3'-chloropropiophenone
- Cas Number:
- 34841-35-5
- Molecular formula:
- C9H9ClO
- IUPAC Name:
- 1-(3-chlorophenyl)propan-1-one
Constituent 1
Test animals
- Species:
- rabbit
- Strain:
- not specified
Test system
- Type of coverage:
- occlusive
- Preparation of test site:
- not specified
- Vehicle:
- not specified
Results and discussion
In vivo
Results
- Irritation parameter:
- primary dermal irritation index (PDII)
- Basis:
- mean
- Max. score:
- 1.84
- Reversibility:
- no data
- Remarks on result:
- other: Slightly irritating
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: "Primary Irritation Index"
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((("a"
and("b"
and(not
"c")))and("d"
and(not
"e")))and
"f")and("g"
and "h"))
Domain
logical expression index: "a"
Referential
boundary:The
target chemical should be classified as Neutral Organics by US-EPA New
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary:The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "c"
Referential
boundary:The
target chemical should be classified as Acylation OR Acylation >> Direct
Acylation Involving a Leaving group OR Acylation >> Direct Acylation
Involving a Leaving group >> Acetates OR Schiff Base Formers OR Schiff
Base Formers >> Direct Acting Schiff Base Formers OR Schiff Base Formers
>> Direct Acting Schiff Base Formers >> 1-3-Dicarbonyls OR SN2 OR SN2 >>
SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon
atom >> Alkyl halides OR SN2 >> SN2 reaction at sp3 carbon atom >>
alpha-Halobenzyls (and related cyano, sulfate and sulphonate subs.
chem.) OR SNAr OR SNAr >> Nucleophilic aromatic substitution OR SNAr >>
Nucleophilic aromatic substitution >> Activated halo-benzenes by Protein
binding by OECD
Domain
logical expression index: "d"
Referential
boundary:The
target chemical should be classified as Ketones by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "e"
Referential
boundary:The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "f"
Referential
boundary:The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis
Domain
logical expression index: "g"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.238
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.12
Applicant's summary and conclusion
- Interpretation of results:
- not irritating
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The primary irritation index of 3'-chloropropiophenone on rabbit is estimated to be 1.84 using QSAR toolbox version 3.0. based on this value it can be considered that 3'-chloropropiophenone is slightly irritating. But for the purpose of classification 3'-chloropropiophenone is considered to be not classified in absense of complete study report.
- Executive summary:
The primary irritation index of 3'-chloropropiophenone on rabbit is estimated to be 1.84 using QSAR toolbox version 3.0. based on this value it can be considered that 3'-chloropropiophenone is slightly irritating. But for the purpose of classification 3'-chloropropiophenone is considered to be not classified in absense of complete study report.
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