Registration Dossier
Registration Dossier
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EC number: 205-517-7 | CAS number: 141-98-0
Dermal absorption
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:
- 2 014
- 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
- Reference substance name:
- O-isopropyl ethylthiocarbamate
- EC Number:
- 205-517-7
- EC Name:
- O-isopropyl ethylthiocarbamate
- Cas Number:
- 141-98-0
- Molecular formula:
- C6H13NOS
- IUPAC Name:
- N-ethyl(propan-2-yloxy)carbothioamide
- Test material form:
- liquid
- Details on test material:
- IPETC is prepared through reacting ethoxycarbonyl isothiocyanate/ Ethyl isothiocyanatoformate (CAS 16182-04-0) with propan-2-ol/ isopropyl alcohol (CAS Number 67-63-0) and Butan-1-ol/ butyl alcohol (CAS Number 71-36-3).
IPETC/O-isopropyl ethylthiocarbamate contains propan-2-ol (CAS number 67-63-0) and Butan-1-ol (CAS number 67-63-0) which are an integral part of the substance.
Propan-2-ol (CAS number 67-63-0) and Butan-1-ol (CAS number 67-63-0) are both reagents used in the manufacture of IPETC/O-isopropyl ethylthiocarbamate. Therefore, Propan-2-ol (CAS number 67-63-0) and Butan-1-ol (CAS number 67-63-0) need to be considered in the assessment of IPETC/O-isopropyl ethylthiocarbamate.
EC Name: propan-2-ol
CAS Number :67-63-0
EC Number:200-661-7
CAS Name: isopropyl alcohol
EC Name: Butan-1-ol
CAS Number : 71-36-3
EC Number: 200-751-6
CAS Name: butyl alcohol
Constituent 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
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