Trioctyl benzene-1,2,4-tricarboxylate

Dermal absorption

Administrative data

Endpoint:

dermal absorption

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Study period:

November 28, 2014

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Estimation by calculation is based on accepted and valid (Q)SAR methods.

Data source

Reference

Reference 1

Reference Type:

other: software

Title:

Unnamed

Year:

2014

Reference 2

Reference Type:

study report

Title:

Unnamed

Year:

2014

Report date:

2014

Materials and methods

Test guideline

Guideline:

other: ECHA Guidance on information requirements and chemical safety assessment - Chapter R.06: QSARs and grouping of chemicals - May 2008

Principles of method if other than guideline:

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.

IH Skin Perm provides two primary dermal exposure modes to the modeller. The first is “instantaneous deposition” in which the substance is assumed to be on the skin as the result of a single exposure event. The second is “deposition over time” in which the substance is assumed to be applied at a constant rate over time. In the first case (instantaneous deposition) the above Deposition Rate is zero and IH Skin Perm then works to keep track of this single dose over time as it is absorbed into the SC or evaporates from the surface of the skin. In the second case (deposition over time) the rate of the substance going to the skin is assumed constant and the thickness of the film on the skin will either increase or decrease with time depending on the relative rates of deposition and removal.

The user inputs the amount going onto the skin as a single dose or as a constant rate and IH SkinPerm calculates the amount of chemical absorbed into the SC over time until all the material disappears from the surface via absorption and evaporation or the exposure is considered to be over.
Ultimately, the program estimates the amount of chemical absorbed into the systemic circulation of the body using clearly defined assumptions.
IH SkinPerm does all of this using relatively few physical chemical inputs for the substance. The details of these calculations are all available from Dr. ten Berge (ref: specific documents (http://home.planet.nl/~wtberge/qsarperm.html).

Test material

Test material information

Constituent 1

Reference substance name:

Trioctyl benzene-1,2,4-tricarboxylate

EC Number:

201-877-4

EC Name:

Trioctyl benzene-1,2,4-tricarboxylate

Cas Number:

89-04-3

Molecular formula:

C33H54O6

IUPAC Name:

1,2,4-trioctyl benzene-1,2,4-tricarboxylate

Results and discussion

Percutaneous absorption

Dose:

4720 mg

Parameter:

percentage

Absorption:

ca. 0 %

Remarks on result:

other: 4 h

Any other information on results incl. tables

Substance

EC name: trioctyl benzene-1,2,4-tricarboxylate

CAS number: 89-04-3

Molecular weight: 546.78

Temperature: 25 °C

Vapour Pressure: 5.96E-05 Pa

Water solubility: 3.2e-05 mg/L

Log Kow (skin, pH= 5.5): 9.3

Density: 983.4 mg/cm3

 

Scenario parameters

Instantaneous deposition

Deposition dose^*: 4720 mg

Affected skin area^**: 1000 cm²

Thickness of stagnant air^***: 1 cm

 

Timing parameters

Start deposition: 0 hr

End time observation: 4 hr

 

Report parameters

Calculationintervals/hours: 7200

Report intervals/hours: 60

 

 

^* Approximately 2 mL of a liquid having a viscosity similar to water will practically wet the palms of two hands. (ca. 420 cm2). So 4.8 mL will wet all the skin surface of both hands. It is reasonably expected more liquid will be excess and wash/fall off.

 

^** Estimated skin surface of two hands of an adult.

 

^*** Nude skin.

RESULTS

Deposition: Instantaneous

Tot. Deposition: 4720 mg

End time observation: 4 hr

 

Fraction absorbed: 0.0%

Amount absorbed: 0 mg

Lag time stratum corneum: 47.6 min.

 

Max. derm. abs.: 1e-7 mg/cm²/hr

Max. derm. abs. for 2000 cm²in 1 hour (from liquid): 1.93E‐4 mg

 

Dermal/Respiratory uptake ratio (from airborne vapour): R= 0.134

 

R= RX/X

 

RX: total dermal absorption by dermal exposure to airborne vapour

X:  total inhalation absorption from airborne vapour

 

Assuming that Fully Respiratory Protection provides 100% efficiency:

 

Protection from respirator= 100*X/(RX+X)= 100/(R+1)= 100/1.134= 88.2% protection against overexposure to the substance in the form of vapour due to dermal vapour absorption over whole body surface.

Applicant's summary and conclusion

Conclusions:

The dermal absorption of trioctyl benzene-1,2,4-tricarboxylate leads to the following results, obtained using the SkinPerm v1.21 model according to the input data:

Fraction absorbed: 0.0%
Amount absorbed: 0.0 mg
Lag time stratum corneum: 47.6 min.

Max. derm. abs.: 1e-7 mg/cm2/hr
Max. derm. abs. for 2000 cm2 in 1 hour (from liquid): 1.93E‐4 mg

Dermal/Respiratory uptake ratio (from airborne vapour): R= 0.134

Executive summary:

In-silico evaluation of dermal absorption indicates that after 4 hours there is no amount of deposited substance that is absorbed within viable epidermis and therefore that could enter in systemic circulation.