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Diss Factsheets
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EC number: 214-426-1 | CAS number: 1126-79-0
- 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
QSAR predictions of ADME properties in humans. Bioavailability, Metabolism and Excretion.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
- Absorption rate - oral (%):
- 100
- Absorption rate - dermal (%):
- 99.7
- Absorption rate - inhalation (%):
- 53.1
Additional information
Experimental data on absorption, distribution, metabolism and excretion (ADME) are not available for butyl phenyl ether. To assess the ADME potential of butyl phenyl ether in humans, the widely accepted QSAR programs, ADMET predictor (v7.2, Simulations Plus Inc, Lancaster, CA, USA),and GastroPlus (v9.0, Simulations Plus Inc, Lancaster, CA, USA) were used.
At 1 mg/kg exposure dose level in a fed 30-year old human (70 kg), the predicted fractional absorption (Fa%) values for oral, dermal, and inhalation exposures to butyl phenyl ether in human by GastroPlus are 100%, 99.7%, and 53.1%, respectively; the predicted systemic bioavailability (F%) values for butyl phenyl ether from oral, dermal, and inhalation exposures are 99.4%, 99.7%, and 53.1%, respectively; the predicted Cmaxvalues are 0.374, 0.111, and 0.105µg/mL respectively. At the dermal exposure level of 3.46 mg/kg, the predicted Cmaxis 0.382µg/m, indicating that approximately 3.46 mg/kg dermal exposure level is required to produce the oral Cmaxlevel of 0.374µg/mL.
Based on these predicted kinetic differences, a factor of 3 will be used to extrapolate from an oral dose to a dermal dose.
The predicted human plasma protein binding upon absorption for butyl phenyl ether is 86.0%. The volume of distribution in humans is estimated to be low (469L, 6.7 L/kg).
Based on the metabolism prediction by ADMET predictor, butyl phenyl ether will be metabolized to the hydroxylated metabolites and butyl aldehyde (by human CYP enzymes). The formed hydroxylated metabolites can also be further metabolized to water soluble metabolites (such as glucuronides and sulfates), which will be mainly excreted into urine and feces.The formed butyl aldehyde will be further metabolized to butyric acid.
On the basis of low volume of distribution, and predicted metabolism and excretion,butyl phenyl ether is not expected to bioaccumulate in human.
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