3-diethylaminophenol

Repeated dose toxicity: inhalation

Administrative data

Endpoint:

sub-chronic toxicity: inhalation

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference Type:

other: Predicted data

Title:

R: QSAR Toolbox 2.3.0.1132 prediction for "Study LOEL" read across evaluation for 91-68-9

Author:

Sustainability Support Services (Europe) AB

Year:

2012

Bibliographic source:

QSAR Toolbox version 2.3

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: estimated data

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 2.3.

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

3-diethylaminophenol

EC Number:

202-090-9

EC Name:

3-diethylaminophenol

Cas Number:

91-68-9

Molecular formula:

C10H15NO

IUPAC Name:

3-(diethylamino)phenol

Test material form:

other: Rock

Details on test material:

- Name of test material (as cited in study report): 3-diethylaminophenol
- Substance type: Organic
- Physical state: Solid

Test animals

Species:

rat

Strain:

Wistar

Sex:

not specified

Administration / exposure

Route of administration:

inhalation

Type of inhalation exposure:

not specified

Vehicle:

not specified

Analytical verification of doses or concentrations:

not specified

Results and discussion

Effect levels

Dose descriptor:

LOEL

Effect level:

26.912 other: mg/kg/day

Based on:

test mat.

Sex:

not specified

Basis for effect level:

other: lowest adverse effect level

Target system / organ toxicity

Critical effects observed:

not specified

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: "study LOEL"
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

(("a" and ("b" and ( not "c") ) ) and ("d" and "e" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(O)cc(N(CC)CC)ccc1
Threshold=50%,
Dice(Atom pairs;Topologic torsions;Atom centered fragments;Path;Cycles)

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic Nitrogen, one aromatic attach [-N] AND Amino, aliphatic attach [-N<] AND Aromatic Carbon [C] AND Hydroxy, aromatic attach [-OH] AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] by Organic functional groups (US EPA)

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Acetylenic Carbon [#C] OR Aliphatic Nitrogen, two aromatic attach [-N-] OR Chlorine, aromatic attach [-Cl] OR Chlorine, olefinic attach [-Cl] OR Isocyanate, aromatic attach [-N=C=O] OR Miscellaneous sulfide (=S) or oxide (=O) OR Nitro, aromatic attach [-NO2] OR Nitrogen, two or tree olefinic attach [>N-] by Organic functional groups (US EPA)

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.154

Domain logical expression index: "e"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.61

Applicant's summary and conclusion

Conclusions:

Repeated dose toxicity LOEL (Lowest observed effect level) of 3-diethylaminophenol to rat by the inhalation route was estimated at a dose concentration of 26.91227 mg/kg/day.

Executive summary:

Repeated dose toxicity LOEL (Lowest observed effect level) of 3-diethylaminophenol to rat by the inhalation route was estimated at a dose concentration of 26.91227 mg/kg/day. This indicates that 3-diethylaminophenol shall not exhibit toxic effect to rat by the inhalation route below the above mention dose.