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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
short-term repeated dose 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 "Effect LOEL" read across evaluation for 25013-16-5
Author:
Sustainability Support Services
Year:
2012
Bibliographic source:
QSAR toolbox Version 2.3

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other:
Principles of method if other than guideline:
Data is from QSAR Toolbox version 3.2
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
2-tert-butyl-4-methoxyphenol
EC Number:
204-442-7
EC Name:
2-tert-butyl-4-methoxyphenol
Cas Number:
121-00-6
Molecular formula:
C11H16O2
IUPAC Name:
2-tert-butyl-4-methoxyphenol
Details on test material:
- Name of test material (as cited in study report): tert-butyl-4-methoxyphenol
- Substance type: Organic
- Physical state: Solid
- SMILES:C(C)(C)(C)c1c(O)ccc(OC)c1

Test animals

Species:
rat
Strain:
Fischer 344
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:
154.852 other: mg/kg bw/day
Based on:
test mat.
Sex:
not specified

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: "effect LOEL"
Estimation method: Taking average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain

(("a" and "b" ) and ("c" and "d" ) )

Domain logical expression index: "a"

Similarity boundary:Target: C(C)(C)(C)c1c(O)ccc(OC)c1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: C(C)(C)(C)c1c(O)ccc(OC)c1
Threshold=60%,
Dice(Atom pairs)

Domain logical expression index: "c"

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

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 4.2

Applicant's summary and conclusion

Conclusions:
Repeated dose toxicity LOEL (Lowest observed effect level) of tert-butyl-4-methoxyphenol to rat by the inhalative route was observed at dose concentration of 154.8519 mg/kg bw/day.
Executive summary:
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Repeated dose toxicity LOEL (Lowest observed effect level) of tert-butyl-4-methoxyphenol to rat by the inhalative route was observed at dose concentration of 154.8519 mg/kg bw/day.