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EC number: 205-252-7 | CAS number: 136-60-7
- 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
Link to relevant study record(s)
Description of key information
Butyl benzoate (CAS No 136 -60 -7, EC No 205 -252 -7) is a colorless liquid with a rather low water solubility (34.1 mg/L), a moderate log Kow (3.30) and a moderate vapour pressure (8.5 Pa at 20°C). It has a molecular weight of 178.231 g/mole. The substance was observed to be non-sensitising to the skin and non-irritant to skin and eyes (Vasquez, 2012).
No toxicokinetic data (animal or human studies) are available on this substance. The data present in this dossier are based on physico-chemical parameters and will allow a qualitative assessment of the toxicokinetic behaviour of the test substance.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
- Absorption rate - oral (%):
- 100
- Absorption rate - dermal (%):
- 100
- Absorption rate - inhalation (%):
- 100
Additional information
Absorption
Oral/GI absorption
Butyl benzoate is considered favorable for absorption based on its moderate molecular weight (< 500 g/mol), moderate partition coefficient (log Kow between -1 and 4) and its low, but relevant water solubility of 34.1 mg/L leading to sufficient dissolution of the substance into the gastrointestinal fluids and absorption through passive diffusion causing absorption to a not negligible extent. It is generally assumed that the absorption along the gastrointestinal tract predominantly takes place in the small intestine.
The test substance has been tested in a combined repeated dose toxicity test with reproductive/developmental screening (according to OECD guideline 422; Martell A, 2013). Wistar Rats (5 per sex per dose) were administered 0, 250, 500, 1000 mg/kg bw/day. No mortality nor adverse effect on the body weight was observed. Differences in food consumption were observed in treated males and females but this finding was not considered to be test item related since the body weight was not affected. Any findings in hematology, clinical biochemistry, histopathology or organ weights were considered incidental therefore not treatment-related. During the microscopic tissue evaluations, three males dosed with 1000 mg/kg/day presented slight reduction of germ cells. Despite the presence of this finding, their reproductive ability was not affected, since these males produced offspring from their respective females. While the absolute number of dead pups in the high dose group was statistically significantly increased when compared to controls on day 0, the mean number of live and dead pups per litter was not significantly increased when compared to controls on day4. Therefore, this finding was considered not test item related. In the high dose dams, the total number of pups, live pups at day 0 and body weight of pups at day 4 postnatal were lower compared to the control group. These findings were not statistically significant and are not likely to be test item related. Based on the results, the test substance is not classified as reproductive toxicant. A parental, reproductive and developmental NOAEL of 1000 mg/kg bw/day was derived.
In an acute oral toxicity study (OECD 425; Vasquez, 2012) in which 2000 and 300 mg/kg bodyweight was administered to 4 females Sprague-Dawley rats by oral gavage, the LD50 value was estimated to be greater than 2000 mg/kg.
Based on the physicochemical properties and the results of the toxicity studies, which rather indicate no harmful properties but diminished absorption, the oral absorption factor is set to 100%.
Respiratory absorption
Given the vapour pressure of 8.5 Pa, the test substance is not a highly volatile substance and the availability for inhalation as a vapour is limited.
Generally, liquids would readily diffuse/dissolve into the mucus lining the respiratory tract. Since the water solubility of this substance is but relevant (34.1 mg/L), the rate at which it will dissolve into the mucus is not considered to be too limited and the amount that could be absorbed directly when reaching the respiratory system cannot be neglected. Once in the respiratory tract, and considering the slightly lipophilic character of the substance, absorption may occur. Absorption directly across the respiratory tract epithelium by passive diffusion is favoured in view of the moderate log Kow value (-1<log Kow<4).
In an acute inhalation toxicity study in male and female Wistar rats, the LC50 was established to exceed 15.246 mg/L (Ferreira, 2012).
Based on the above considerations, the inhalation absorption factor is set to 100%.
Dermal absorption
Liquids and substances in solution are taken up more readily than dry particulates. Absorption of volatile liquids across the skin may be limited by the rate at which the liquid evaporates off the skin surface (Pryde and Payne, 1999). However, the test substance is not very volatile and penetration into the lipid rich environment of the stratum corneum is expected as it is also favoured by slightly lipophilic character of the substance. Further, penetration from the stratum corneum into the epidermis will not be too limited by the water solubility (34.1 mg/L) of the test substance. Dermal uptake is thus expected to be moderate to high based on physico-chemical characteristics.
The substance was demonstrated to be non-irritant to the skin in an in vivo study in rabbits (OECD 404) and non-irritant to eyes in an in vivo study in rabbits (OECD 405) (Vasquez, 2012).
In a Delayed Contact Hypersensitivity in male and female Hartley Guinea Pigs (Buehler Method) according to OECD Guideline 406, the test item was observed to be non-sensitising to the skin (Vasquez, 2012).
The dermal absorption factor for the test substance is set to 100%.
Distribution
The rather low water solubility will limit the distribution of the test substance through the body through aqueous channels and pores only to a minor extent. The toxicological studies identified no the target organs. Based on these observations it can be concluded that the test substance is likely to distribute within the body within a certain extent.
Accumulation
Based on the physicochemical properties of the substance (rather low water solubility, moderate partition coefficient, low vapour pressure etc.), no accumulation is expected within the lungs, bones or stratum corneum.
Metabolism
Once absorbed, extensive hydrolysis and/or hydroxylation may occur to increase the solubility of the substance and possible oxidation followed by rapid amino acid conjugation, sulfonation or glucuronidation is expected.
Excretion
The water soluble conjugated metabolites of the test substance from Phase II biotransformation will be excreted from the systemic circulation through the urine. Most of them will have been filtered out from the blood by the kidneys, though a small amount can enter the urine directly by passive diffusion. There is also the potential for re-absorption into the systemic circulation across the tubular epithelium.
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