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Diss Factsheets
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EC number: 202-773-1 | CAS number: 99-62-7
- 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)
- Type of information:
- other: Expert statement
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: expert statement based on the ECHA Guidance R.7c
- Objective of study:
- absorption
- distribution
- enzyme clearance
- excretion
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- expert assessment of ADME based on the ECHA Guidance R.7c
- GLP compliance:
- no
- Sex:
- male/female
- Details on absorption:
- Oral absorption
Generally the smaller the molecule the more easily it may be taken up. Molecular weights below 500 are favourable for absorption; molecular weights above 1000 do not favour absorption. Moderate log P values (between -1 and 4) are favourable for absorption by passive diffusion. Any lipophilic compound may be taken up by micellular solubilisation but this mechanism may be of particular importance for highly lipophilic compounds (log P > 4), particularly those that are poorly soluble in water (1 mg/L or less) that would otherwise be poorly absorbed. 1,3-Diisopropylbenzene has a molecular weight of 162 g/mol, a low water solubility (72 µg/L) and a high logP (5.13). Thus, absorption by micellular solubilisation is favoured for the substance. Systemic availability after oral absorption is also indicated by the available Repeated dose toxicity study, where slight effects on the liver and kidney were found.
Taken together, based on the available studies in combination with the physical-chemical properties an oral absorption rate of 100 % is assumed for 1,3-diisopropylbenzene as worst-case.
Dermal absorption
Absorption in the stratum corneum is favoured for substances with a molecular weight below 100 g/mol, but it is also possible for substances with a molecular weight of below 500 g/mol. To cross the lipid-rich stratum corneum a certain degree of lipophilicity is required. Log P values between 1 and 4 favour dermal absorption (values between 2 and 3 are optimal). Above 4, the rate of penetration may be limited by the rate of transfer between the stratum corneum and the epidermis, but uptake into the stratum corneum will be high. The substance must be sufficiently soluble in water to partition from the stratum corneum into the epidermis. Therefore, if the water solubility is below 1 mg/L, dermal uptake is likely to be low. Uptake into the stratum corneum itself may be slow. 1,3-Diisopropylbenzene has a molecular weight of 162 g/mol, a low water solubility (72 µg/L) and a high logP (5.13). Thus, 1,3-diisopropylbenzene is expected to be able to be absorbed by the stratum corneum. To partition from the stratum corneum into the viable part of the epidermis, a substance must be sufficiently soluble in water (> 1 mg/L). Having a water-solubility of 0.072 mg/L 1,3-diisopropylbenzene is hardly able to partition from the stratum corneum into the lower epidermis and thus, be taken up by the systemic circulation. Therefore, dermal absorption is very limited. Thus, a default value of 10 % (for substances with a logP > 4) is used for dermal absorption according to ECHA Guidance R. 7c.
Respiratory absorption
The substance is liquid. Therefore, it is not available for inhalation as particle. Due to the vapour pressure of 57 Pa at 25 °C and a boiling point of 203 °C, 1,3-diisopropylbenzene has a low volatility and thus it is unlikely to be available as a vapour. If, however absorbed, 1,3-diisopropylbenzene is favourable for absorption by micellular solubilisation based on its high logP value of 5.13 and low water solubility of 0.072 mg/L.
Based on the available data, it can be concluded that inhalatory exposure is unlikely. However, respiratory absorption cannot be fully excluded. Thus, as worst-case, 100 % inhalation absorption is assumed. - Details on distribution in tissues:
- Due to the low molecular weight (162 g/mol) 1,3-diisopropylbenzene is expected to be widely distributed in the body. As the molecule is lipophilic (log P > 0), it is likely to distribute into cells and the intracellular concentration may be higher than extracellular concentration particularly in fatty tissues. As the substance has a logP above 4, accumulation in fatty tissue cannot be excluded. Also, based on its high lipophilicity it can readily penetrate the lipid rich stratum corneum when in contact with the skin. As it is too liphophilic to be absorbed systemically, it may persist in the stratum corneum and eventually be cleared as the stratum corneum is sloughed off.
- Details on excretion:
- 1,3-Diisopropylbenzene is expected to be metabolized by Cytochromes P450 enzymes. Main targets are the isopropyl-chains. In phase I metabolism hydroxyl-groups are expected to be attached to the isopropyl-chains. In phase II metabolism glucuronide or glutathione conjugation may occur at the isopropyl-chains. These pathways were shown in a study with the structural analogue isopropylbenzene in rats and mice (Chen et al. 2011). By the attachment of these polar groups, the polarity of the substance is increased. The low molecular weight and the polarity of these metabolites favour urinary excretion. Therefore, the main excretion route is expected to be urinary excretion. A minor percentage of the metabolites will also be excreted via the bile. This was also shown for the analogue isopropylbenzene (Chen et al. 2011).
- Conclusions:
- The absorption rate of 1,3-diisopropylbenzene is assumed to be 100 % via the oral and inhalation and 10 % via dermal route. The substance is expected to be distributed widely through body, while the intracellular concentration is expected to be higher than the extracellular concentration. Accumulation in the fatty tissue and the stratum corneum may occur. The main excretion route is urinary excretion.
- Executive summary:
The ADME parameters were assessed based on stability data, available toxicological studies and physico-chemical properties in accordance with ECHA Guidance R.7c.
The absorption rate of 1,3-diisopropylbenzene is assumed to be 100 % via the oral and inhalation and 10 % via dermal route. The substance is expected to be distributed widely through body, while the intracellular concentration is expected to be higher than the extracellular concentration. Accumulation in the fatty tissue and the stratum corneum may occur. The main excretion route is urinary excretion.
Reference
Description of key information
An expert statement based on the ECHA Guidance R.7c was prepared and used to delineate the absorption rates for the oral, dermal and inhalation route of exposure.
Key value for chemical safety assessment
- Absorption rate - oral (%):
- 100
- Absorption rate - dermal (%):
- 10
- Absorption rate - inhalation (%):
- 100
Additional information
The ADME parameters of m-diisopropylbenzene were assessed based on stability data, available toxicological studies and physico-chemical properties in accordance with ECHA Guidance R.7c.
The absorption rate of 1,3-diisopropylbenzene is assumed to be 100 % via the oral and inhalation and 10 % via dermal route. The substance is expected to be distributed widely through body, while the intracellular concentration is expected to be higher than the extracellular concentration. Accumulation in the fatty tissue and the stratum corneum may occur. The main excretion route is urinary excretion.
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.
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