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Toxicological information

Dermal absorption

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Administrative data

Endpoint:
dermal absorption, other
Remarks:
QSAR method for chemicals properties assessment.
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:
QSAR prediction: US EPA accepted QSAR method for chemicals properties assessment.

Data source

Reference
Reference Type:
other: QSAR model
Title:
EPI Suite v 4.1/DERMWIN v2.01
Author:
US EPA
Year:
2014
Bibliographic source:
http://epa.gov/oppt/exposure/pubs/episuite.htm

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
Using the DERMWIN v2.01 QSAR model
GLP compliance:
no
Remarks:
not applicable to QSAR models

Test material

Constituent 1
Chemical structure
Reference substance name:
Reaction mass of propan-2-ol and butan-1-ol and O-isopropyl ethylthiocarbamate
EC Number:
943-680-2
Molecular formula:
C6H13NOS
IUPAC Name:
Reaction mass of propan-2-ol and butan-1-ol and O-isopropyl ethylthiocarbamate
Test material form:
liquid
Details on test material:
EC Name: O-isopropyl ethylthiocarbamate
Isopropyl Ethyl Thionocarbamate
CAS Number:141-98-0
EC Number:205-517-7
Common name:Isopropyl Ethyl Thionocarbamate (IPETC)
-Name of test material (as cited in study report: : Carbamothioic acid, ethyl-, O-(1-methylethyl) ester
SMILES : O(C(=NCC)S)C(C)C
CHEM : Carbamothioic acid, ethyl-, O-(1-methylethyl) ester
MOL FOR: C6 H13 N1 O1 S1
MOL WT : 147.24
Reaction mass of O-isopropyl ethylthiocarbamate (98%) and n-butanol (1%) and propan-2-ol (1%)

Radiolabelling:
no

Test animals

Species:
other: QSAR model,
Strain:
other: QSAR model,
Sex:
not specified

Administration / exposure

Type of coverage:
other: QSAR model
Vehicle:
other: QSAR model
Duration of exposure:
not applicable to QSAR models
Doses:
not applicable to QSAR models
No. of animals per group:
not applicable to QSAR models
Control animals:
no
Details on study design:
not applicable to QSAR models
Details on in vitro test system (if applicable):
not applicable to QSAR models

Results and discussion

Signs and symptoms of toxicity:
not specified
Dermal irritation:
not specified
Absorption in different matrices:
A QSAR model predicts that the permeability of IPETC to human skin is quite low. The permeability coefficient was determined to be 7.62e-003 mg/cm2, which is around 1% of the skin penetration rate.
Predicted dermally absorbed coefficient was determined to be Kp (est)=0.0375 cm/hr

Any other information on results incl. tables

A QSAR model predicts that the permeability of IPETC to human skin is quite low. The permeability coefficient was determined to be 7.62e-003 mg/cm2, which is around 1% of the skin penetration rate.

Predicted dermally absorbed coefficient was determined to be Kp (est)=0.0375 cm/hr

Applicant's summary and conclusion

Conclusions:
A QSAR model predicts that the permeability of IPETC to human skin is quite low. The permeability coefficient was determined to be 7.62e-003 mg/cm2, which is around 1% of the skin penetration rate.
Predicted dermally absorbed coefficient was determined to be Kp (est)=0.0375 cm/hr
Executive summary:

A QSAR model predicts that the permeability of IPETC to human skin is quite low. The permeability coefficient was determined to be 7.62e-003 mg/cm2, which is around 1% of the skin penetration rate.

Predicted dermally absorbed coefficient was determined to be Kp (est)=0.0375 cm/hr