Registration Dossier
Registration Dossier
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EC number: 935-411-2 | CAS number: -
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: 452 g/mol
Temperature: 20°C
Vapour Pressure: 0.00000017 Pa
Water solubility: 1,89 mg/L
Log Kow: 5,62
Density: 1120 mg/cm3
Melting point: -29°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:
- 0.08 %
- Remarks on result:
- other: Instantaneous deposition
- Time point:
- 8 h
- Dose:
- 1 mg/cm²/h
- Parameter:
- percentage
- Absorption:
- 0.005 %
- Remarks on result:
- other: Deposition over time for 8 hr
- Conclusions:
- The dermal absorption of Reaction products of 4,4'-isopropylidenediphenol, ethoxylated and methacrylic acid is estimated to be low (< 10%).
- Executive summary:
The dermal absorption of Reaction products of 4,4'-isopropylidenediphenol, ethoxylated and methacrylic acid leads to the following results, obtained using the SkinPerm v2.04 model according to the input date :
Instantaneous deposition
Deposition over time
End time observation 8 hr
Total deposition (mg)
1000
2000
Fraction absorbed (%)
0.0823
0.00514
Amount absorbed (mg)
0,823 0.823
Lag time stratum corneum (min)
138
Max. derm. abs. (mg/cm²/h)
0.0000514
Reference
Description of key information
No experimental toxicokinetic study is available on Reaction products of 4,4'-isopropylidenediphenol, ethoxylated and methacrylic acid. However, as per REACH guidance document R7.C, information on absorption, distribution, metabolism and excretion may be deduced from the physicochemical properties and QSAR predictions.
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
No experimental toxicokinetic study is available on Reaction products of 4,4'-isopropylidenediphenol, ethoxylated and methacrylic acid. However, as per REACH guidance document R7.C, information on absorption, distribution, metabolism and excretion may be deduced from the physicochemical properties, including:
-Molecular weight: mean 452 ; range [384;972]
-Water solubility: 1.89 mg/L
-Partition coefficient Log Kow: 5.62
-Vapour pressure: 0.117 10^-6 Pa (20°C)
ABSORPTION
The value of log Kow (> 5) and the low water solubility are in the range suggestive of low absorption from the gastro-intestinal tract subsequent to oral ingestion. Indeed the absorption of highly lipophilic substances may be limited by the inability of such substances to dissolve into GI fluids. No adverse effect was observed in the oral acute toxicity study in rats treated with 2000 mg/kg/d. However, 100% of oral absorption is taken into account for risk assessment.
With low water solubility, a high value of log Kow and a molecular mass near to 500 g/mol, dermal absorption is anticipated to be low. Moreover, the acrylates are known to bind to skin components, and this binding decreases their dermal absorption. Based on the IH skin Perm (QSAR), the dermal absorption of Reaction products of 4,4'-isopropylidenediphenol, ethoxylated and methacrylic acid is estimated to be low (< 10%). Reaction products of 4,4'-isopropylidenediphenol, ethoxylated and methacrylic acid is not skin irritating or skin sensitizer.
For risk assessment, 10% of dermal absorption is taken into account.
Based on the very low value of the vapour pressure, Reaction products of 4,4'-isopropylidenediphenol, ethoxylated and methacrylic acid is not a volatile substance. However 100% of absorption after inhalation exposure is taken into account for risk assessment.
DISTRIBUTION and METABOLISM
The molecule is lipophilic (log Kow >5), it is likely to distribute into cells and the intracellular concentration may be higher than extracellular concentration particularly in fatty tissues.
No specific data is available on the metabolism of Reaction products of 4,4'-isopropylidenediphenol, ethoxylated and methacrylic acid.
ELIMINATION
Due to the low water solubility and a moderate molecular mass (near to 500 g/mol), the excretion of Reaction products of 4,4'-isopropylidenediphenol, ethoxylated and methacrylic acid in the urines is not expected. An excretion via bile and faeces is possible.
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