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EC number: 214-507-1 | CAS number: 1137-42-4
- 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
Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics, other
- Remarks:
- This theoretical assessment was prepared, taking all currently available relevant information into account, based on the REACH Guidance: Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.7c Endpoint specific guidance.
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Guideline:
- other: This theoretical assessment was prepared, taking all currently available relevant information into account, based on the REACH Guidance: Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.7c Endpoint specific guidance.
- GLP compliance:
- yes
Test material
- Reference substance name:
- 4-hydroxybenzophenone
- EC Number:
- 214-507-1
- EC Name:
- 4-hydroxybenzophenone
- Cas Number:
- 1137-42-4
- Molecular formula:
- C13H10O2
- IUPAC Name:
- 4-benzoylphenol
- Test material form:
- solid: particulate/powder
- Details on test material:
- Identification: 4-hydroxy-benzophenone
Molecular formula: C13H10O2
Molecular weight: 198.22
CAS Number: 1137-42-4
Description: White crystal
Purity: 99.72 %
Constituent 1
Results and discussion
- Preliminary studies:
- Acute oral toxicity (rat)
Combined Repeated Dose Toxicity Study with the Reproduction/Developmental Toxicity Screening (oral, rat)
Skin corrosion (in vitro)
Skin irritation test (in vitro)
Eye irritation test (in vitro, BCOP)
Eye irritation test (in vitro, Epiocular)
Sensitisation (in chemico, DPRA)
Sensitisation (in vitro, KeratinoSens)
Sensitization (WoE)
Sensitization (in vivo, LLNA)
Ames test
Chromosome aberration test
Toxicokinetic / pharmacokinetic studies
- Details on absorption:
- After exposure, a substance can enter the body via the gastrointestinal tract, the lungs, and the skin. Since different parameters are relevant for absorption via the different routes of exposure, the uptake via these three routes will be addressed individually.
After oral administration, a solid compound needs to be dissolved before it can be taken up from the gastrointestinal tract. The moderate water solubility of 4-hydroxy-benzophenone (0.126 g/L at 20 °C), will favour absorption to some extent, and the substance is expected to dissolve into the gastrointestinal fluids. Consequently, the substance is expected to be available for uptake. The molecular weight of the test substance (198.22) will favour the uptake, and absorption via passive diffusion (passage of small water-soluble molecules through aqueous pores or carriage across membranes with the bulk passage of water) may occur. Its moderate partition coefficient (log Pow between 1.6 and 2.2) is favourable for absorption via passive diffusion. The chemical structure shows that the test substance has potentially ionisable groups. It is not clear if the test substance would be ionized at pH values usually found in the gastrointestinal tract (roughly between 2 and 8). Ionization of the substance can hamper uptake. In conclusion, for risk assessment purposes oral absorption of 4-hydroxy-benzophenone is set at 100%, taking into account its moderate water solubility which will favour absorption, but also considering potential uptake via passive diffusion. The oral toxicity data does not provide indications to deviate from this value.
4-hydroxy-benzophenone has been found to have a low vapor pressure (≤ 2.2 x 10-5 Pa at 20 °C), which indicates that its availability for inhalation as a vapor is low. On the other hand, 4-hydroxy-benzophenone is a powder with a mass median aerodynamic diameter (MMAD) of 83.7 µm. In humans, particles with aerodynamic diameters below 100 μm have the potential to be inhaled. Particles with aerodynamic diameters below 50 μm may reach the thoracic region and those below 15 μm the alveolar region of the respiratory tract. As for 4-hydroxy-benzophenone 50% of the particles have an aerodynamic diameter lower than 64 µm a considerable part of the particles have the potential to reach the tracheobronchial region. 10% of the particles have an aerodynamic diameter lower than 13.2 µm, and may reach the alveolar region. Due to the moderate water solubility, 4-hydroxy-benzophenone may dissolve in the mucus lining the respiratory tract, and its small molecular size will favour absorption via passive diffusion. Bigger particles may settle in the nasopharyngeal region and through the action of clearance mechanism may be transported out of the respiratory tract and swallowed. The moderate log Pow will favour absorption. The test substance is not surface active, and tests on its irritant/corrosive properties are inconclusive. Therefore, it is not clear if damage of the epithelia may be expected that may enhance uptake. Taking these considerations together it is concluded that for risk assessment purposes, the inhalation absorption of 4-hydroxy-benzophenone is set at 100%.
As 4-hydroxy-benzophenone is a solid, dry substances have to dissolve into the surface moisture of the skin before uptake can occur. The moderate partition coefficient (log Pow between 1.6 and 2.2) allows uptake in the stratum corneum, and its moderate water solubility (0.126 g/L at 20 °C) will favour the partitioning from the stratum corneum into the epidermis. Moreover, the test substance is not surface active but tests on its irritant/corrosive properties are inconclusive. Therefore, it is not clear if damage of the epithelium may be expected that may enhance uptake. According to the criteria given in the REACH Guidance, 10% dermal absorption will be considered in case MW >500 and log Pow <-1 or >4, otherwise 100% dermal absorption should be used. Thus according to the guideline, for risk assessment purposes dermal absorption of 4-hydroxy-benzophenone is set at 100%. - Details on distribution in tissues:
- Based on its moderate partition coefficient (log Pow = 1.6 to 2.2), it is unlikely that 4-hydroxy-benzophenone might accumulate in adipose tissue, therefore the bioaccumulation potential of 4-hydroxy-benzophenone is expected to be low.
- Details on excretion:
- Once absorbed, distribution of the substance throughout the body is expected due to its low molecular weight, and its moderate water solubility will favour distribution. 4-hydroxy-benzophenone may be metabolized in the gastrointestinal tract or the liver and be excreted through bile.
Any other information on results incl. tables
Parameter | Value | Project |
Acute oral toxicity (rat) | LD50 > 2000 mg/kg bw | CRL 20151992 |
Combined Repeated Dose Toxicity Study with the Reproduction/Developmental Toxicity Screening (oral, rat) | Parental NOAEL: at least 300 mg/kg bw/day | CRL 20151994 |
Reproduction NOAEL: at least 300 mg/kg bw/day | ||
Developmental NOAEL: at least 300 mg/kg bw/day | ||
Skin corrosion (in vitro) | Not corrosive | CRL 20151983 |
Skin irritation test (in vitro) | Inconclusive | CRL 20151984 |
Eye irritation test (in vitro,BCOP) | Inconclusive | CRL 20151985 |
Eye irritation test (in vitro,Epiocular) | Inconclusive | CRL 20151986 |
Sensitisation (in chemico,DPRA) | ||
Sensitisation (in vitro,KeratinoSens) | Negative | CRL 20151989 |
Sensitization (WoE) | ||
Sensitization (in vivo, LLNA) | Positive | CRL 20151990 |
Inconclusive | CRL 20151988 | |
Not sensitizer | CRL 20202009 | |
Ames test | Not mutagenic (with and without S9) | CRL 20151997 |
Chromosome aberration test | Clastogenic (with S9) | CRL 20151998 |
Applicant's summary and conclusion
- Conclusions:
- A toxicokinetic assessment was performed based on the available data of the substance. Based on the physical/chemical properties of the substance, absorption factors for this substance are derived to be 100% (oral), 100% (inhalation) and 100% (dermal) for risk assessment purposes. The bioaccumulation potential is expected to be low.
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