Registration Dossier

Administrative data

Endpoint:
dermal absorption
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR Database
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Test guideline
Guideline:
other: REACH guidance on QSARs R.6, May/July 2008
Principles of method if other than guideline:
Dermwin v2.01 (Q)SAR database report

Test material

Constituent 1
Chemical structure
Reference substance name:
Sorbitan, (Z)-9-octadecenoate (2:3)
EC Number:
232-360-1
EC Name:
Sorbitan, (Z)-9-octadecenoate (2:3)
Cas Number:
8007-43-0
Molecular formula:
C42H76O7
IUPAC Name:
(1R)-1-[(2R,3R,4S)-4-hydroxy-3-[(9Z)-octadec-9-enoyloxy]oxolan-2-yl]-2-[(9Z)-octadec-9-enoyloxy]ethyl (9Z)-octadec-9-enoate (2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl (9Z)-octadec-9-enoate (2R)-2-hydroxy-2-[(2R,3R,4S)-3-hydroxy-4-[(9Z)-octadec-9-enoyloxy]oxolan-2-yl]ethyl (9Z)-octadec-9-enoate

Results and discussion

Absorption in different matrices:
Dermal absorption of the test substance was predicted to be very low with an estimated dermal permeability coefficient (Kp) of 1.07 cm/h and a dermal absoprtion rate of 3.3E-007 mg/cm²/h (=8.25E-009 mg/cm²/event).

Applicant's summary and conclusion