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Diss Factsheets
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EC number: 230-392-0 | CAS number: 7087-68-5
- 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
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Endpoint summary
Administrative data
Link to relevant study record(s)
- Endpoint:
- dermal absorption, other
- Remarks:
- QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on IR&CSA, Chapter R.14, Occupational exposure assessment Update to change the scope of the guidance from exposure estimation to exposure assessment
- Principles of method if other than guideline:
- IH SkinPerm (v2.04) is a mathematical tool for estimating dermal absorption. The rate of mass build-up (or loss) on the skin comes from the deposition rate onto the skin minus the absorption rate into the Stratum Corneum (SC) and the amount evaporating from the skin to the air.
- Species:
- other: human
- Type of coverage:
- open
- Vehicle:
- unchanged (no vehicle)
- Details on study design:
- DATA INPUT
Molecular weight: 129.24 g/mol
Temperature: 25 °C
Vapour Pressure: 1425 Pa
Water solubility: 7400 mg/L
Log Kow: 1,8
Density: 7537 mg/cm3
Melting point: -20°C
SCENARIO PARAMETERS
- Instantaneous deposition
Deposition dose*: 1000 mg
Affected skin area**: 1000 cm²
Maximum skin adherence***: 2 mg/cm²
Thickness of stagnant air****: 1 cm
Weight fraction: 1
Timing parameters
. Start deposition: 0 hr
. End time observation: 8 hr
Report parameters
. Calculation (intervals/hr): 10000
. Report (intervals/hr): 100
- Deposition over time
Affected skin area**: 1000 cm²
Maximum skin adherence***: 1 mg/cm²
Dermal deposition rate: 2 mg/cm²/hr
Thickness of stagnant air****: 1 cm
Weight fraction: 1
Timing parameters
. Start deposition: 0 hr
. Duration of deposition: 8hr
. End time observation*: 8 hr
Report parameters
. Calculation (intervals/hr): 10000
. Report (intervals/hr): 100
*Default value defined according to the internal validation study
**Estimated skin surface of two hands of an adult.
***The skin adherence field is greyed out and a default of -1 is indicated if the substance is a liquid at 25°C. Smart logic is built into IH SkinPerm; the program recognizes whether a substance is a solid or liquid at standard temperature (25°C) based on the physicochemical properties. For substances
that are solids at 25°C a maximum adherence value up to 2 mg/cm² is allowed based on studies of soil-on-skin adherence. If the deposition rate results in an increase above the input figure (0.2-2 mg/cm²), it is assumed that the surplus disappears just by removal from the skin.
*** 3 cm if clothing involved, 1 cm if bare skin involved - Time point:
- 8 h
- Dose:
- 1000 mg
- Parameter:
- percentage
- Absorption:
- 1.76 %
- Remarks on result:
- other: Instantaneous deposition
- Time point:
- 8 h
- Dose:
- 1 mg/cm²/h
- Parameter:
- percentage
- Absorption:
- 3.01 %
- Remarks on result:
- other: Deposition over time for 8 hr
- Conclusions:
- The dermal absorption of EDIPA is estimated to be < 10%
- Executive summary:
The dermal absorption of EDIPA leads to the following results, obtained using the SkinPerm v2.04 model according to the input data:
Instantaneous deposition
Deposition over time
End time observation 8 hr
Total deposition (mg) or deposition rate (mg/cm²/hr)
1000
16000
Fraction absorbed (%)
1.76
3.01
Amount absorbed (mg)0.
33.3 33.3
Lag time stratum corneum (min)
12.1
Max. derm. abs. (mg/cm²/h)
0.0521
- Endpoint:
- basic toxicokinetics, other
- Remarks:
- in silico
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- See enclosed files
- Objective of study:
- absorption
- distribution
- excretion
- metabolism
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on IR&CSA, Chapter R.14, Occupational exposure assessment Update to change the scope of the guidance from exposure estimation to exposure assessment
- Version / remarks:
- August 2016
- Principles of method if other than guideline:
- pkCSM uses graph-based signatures to develop predictive models of central ADME properties. pkCSM performs as well or better than current methods.
- Type:
- absorption
- Results:
- Intestinal absorption (human): 93 %
- Type:
- distribution
- Results:
- VDss (human) (log L/kg): 0.489
- Type:
- distribution
- Results:
- Fraction unbound (human) : 0.505
- Type:
- distribution
- Results:
- BBB permeability (log BB): 0.64
- Type:
- distribution
- Results:
- CNS permeability (log PS): -1,518
- Type:
- excretion
- Results:
- Renal OCT2 substrate: no
- Type:
- excretion
- Results:
- Total Clearance (log ml/min/kg): 0.71
- Details on absorption:
- According to the model "Intestinal absorption (human)", 93 % of the substance is absorbed after oral exposure.
- Details on distribution in tissues:
- According to the model "VDss (human)", the volume of distribution (VD, i.e. theoritical volume that the total dose of a drug would need to be uniformly distributed to give the same concentration as in blood plasma) is moderate (Log between -0.15 and 0.45).
According to the model "BBB permeability", the substance is cross readily the blood-brain barrier (log BB > 0.3).
According to the model "CNS permeability", it is not possible to predict if the substance is unable or not to penetrate the CNS (-3- Details on excretion:
- According to the model "Renal OCT2 substrate", the substance is not a OCT2 substrate. The substance is not transported by this renal transporter.
According to the model "Total clearance" , the predicted total clearance (hepatic & renal clearance) is of 5.12 ml/min/kg (log(ml/min/kg) 0.71) corresponding to a high clearance.- Metabolites identified:
- no
- Conclusions:
- According to the QSAR pkCSM, the substance is well absorbed by oral route, and well distributed into the body and a high total clearance is expected.
Referenceopen allclose all
Description of key information
No data on in vivo toxicokinetics, metabolism and distribution are available for
ethyldiisopropylamine.
Based on its physicochemical and toxicological properties as well as
QSAR models described below (pkCSM and HI Skin perm)
ethyldiisopropylamine is expected to be well absorbed by the respiratory
and gastro-intestinal tracts and moderately through the skin.
In addition the information provided with the analogues DMIPA and DMEA
are supportive to EDIPA (see read across justification document).
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
- Absorption rate - oral (%):
- 100
- Absorption rate - dermal (%):
- 10
- Absorption rate - inhalation (%):
- 100
Additional information
There is no toxicokinetics, metabolism and distribution data available on ethyldiisopropylamine. Therefore, the assessment of the toxicokinetics of ethyldiisopropylamine is based on the available toxicological data and the physicochemical properties as suggested by the REACH Guidance Chapter R.7c:
Molecular weight: 129.24 g/mole
Water solubility: 7.41 ± 0.21 g/L at 20°C ± 1°C and pH=7
Partition coefficient log Kow = 1.18
ABSORPTION
Oral route
According to the REACH Guidance, the physicochemical characteristics of ethyldiisopropylamine (log Kow = 1.18) and the molecular mass (129.24 g/mol) are in a range suggestive of absorption as such from the gastro-intestinal tract subsequent to oral ingestion. This assumption of oral absorption is confirmed by the clinical signs of toxicity observed from 200 mg/kg bw in the acute oral toxicity studies (BASF, 1997; Klein, 2004). In addition, According to the QSAR pkCSM, the substance is well absorbed by oral route, and well distributed into the body. Indeed, According to the model "Intestinal absorption (human)", 93 % of the substance is absorbed after oral exposure.Therefore, the oral absorption of ethyldiisopropylamine can be assumed to be 100% for risk assessment and supported by the pkCSM QSAR model.
Inhalation route
According to the REACH Guidance, the physicochemical characteristics of ethyldiisopropylamine (log Kow =<-1.8) and the molecular mass (129.24 g/mol) are in a range suggestive of absorption as such from the respiratory subsequent to inhalation exposure. This assumption of absorption by the respiratory tract is confirmed by the mortality and the clinical signs observed in the acute inhalation toxicity study (Nagy, 2013). Therefore, the inhalation absorption of ethyldiisopropylamine can be assumed to be 100% for risk assessment.
Dermal absorption
According to the REACH Guidance, the n-Octanol/water partition coefficient (log Kow), the water solubility and molecular weight of ethyldiisopropylamine are in ranges which favour dermal absorption. However, no mortality and clinical signs of toxicity were observed at the dose level of 2000 mg/kg bw in the acute dermal toxicity in rats (Gerbeix, 2012), whereas such effects were observed from 200 mg/kg bw in the acute oral toxicity studies. In such circumstances, a default value of 10% skin absorption is generally used which is supported by the HI skinperm QSAR model.
DISTRIBUTION and METABOLISM
According to the REACH Guidance, as a small molecule a wide distribution of ethyldiisopropylamine is expected. The metabolism of most simple aliphatic tertiary amines proceeds through biological oxidation of the amine to an amine oxide.
ELIMINATION
As tertiary amine oxides are stable and water soluble, they are filtered by the kidney and undergo primarily urinary excretion. According to the REACH Guidance, the n-Octanol/water partition coefficient is not suggestive of accumulation of unchanged ethyldiisopropylamine in fatty tissues subsequent to absorption. Further the pkCSM QSAR model indicate a high clearance of the substance.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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