Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate

Dermal absorption

Administrative data

Endpoint:

dermal absorption, other

Remarks:

in silico

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Study period:

October 11, 2012

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

See the attached justification.

Data source

Reference

Reference 1

Reference Type:

other: software

Title:

Unnamed

Year:

2011

Reference 2

Reference Type:

other company data

Title:

Unnamed

Year:

2012

Report date:

2012

Materials and methods

Test guideline

Guideline:

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

Principles of method if other than guideline:

See the justification for type of information.

Test material

Test material information

Constituent 1

Reference substance name:

Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate

EC Number:

222-020-0

EC Name:

Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate

Cas Number:

3319-31-1

Molecular formula:

C33H54O6

IUPAC Name:

tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate

Results and discussion

Percutaneous absorption

Time point:

4 h

Dose:

Deposition dose: 50000 mg

Parameter:

rate

Remarks:

absorbed

Absorption:

<= 0 mg cm-2 h-1

Any other information on results incl. tables

Substance

EC name: tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate

CAS number: 3319-31-1

Molecular weight: 546.78

Temperature: 25 °C

Vapour Pressure: 6.8E-08 Pa

Water solubility: 3.06E-03 mg/L

Log Kow (skin, pH= 5.5): 8.0

Density: 988.5 mg/cm³

 

Scenario parameters

Instantaneous deposition

·        Deposition dose: 50000 mg (max. capacity of skin surface, equal to 25x affected skin)

·        Affected skin area: 2000 cm2 (hands and forearms surface)

 

Timing parameters

·        Start deposition: 0 hr

·        End time observation: 4 hr

 

Report parameters

·        Calculation intervals/hours: 10000 hr

·        Report intervals/hours: 1 hr

 

RESULTS

Deposition: Instantaneous

Tot. Deposition: 50000 mg

 

Fraction absorbed: 0.0%

Amount absorbed: 8.27E-03 mg

Lag time stratum corneum: 117.4 min.

 

Max. derm. abs.: 1E-06 mg/cm²/hr

Max. derm. abs. for 2000 cm² in 1 hour (from liquid): 2.07E-03 mg

 

Dermal/Respiratory uptake ratio (from airborne vapour): R= 0.858

 

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)= 100/1.858= 53.8% 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 the test material leads to the following results, obtained using the SkinPerm v1.03 model according to the input data:

Fraction absorbed: 0.0%
Amount absorbed: 8.27E-03 mg
Lag time stratum corneum: 117.4 min.

Max. derm. abs.: 1E-06 mg/cm2/hr
Max. derm. abs. for 2000 cm2 in 1 hour (from liquid): 2.07E-03 mg

Dermal/Respiratory uptake ratio (from airborne vapour): R= 0.858

Executive summary:

In-silico evaluation of dermal absorption indicates that after 4 hours the deposited substance is not absorbed within viable epidermis and therefore can not enter in systemic circulation.