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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
sediment toxicity: long-term
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2017
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:
See attached justification

Data source

Referenceopen allclose all

Reference Type:
publication
Title:
Refinement and validation of TLM-derived HC5 values. Independent review.
Author:
McGrath JA, Di Toro DM, Fanelli CJ
Year:
2015
Bibliographic source:
HDR, Mahwah, NJ
Reference Type:
publication
Title:
Extension and validation of the target lipid model for deriving predicted no-effect concentrations for soils and sediments
Author:
Redman AD, Parkerton TF, Paumen ML, McGrath JA, den Haan K, DiToro DM
Year:
2014
Bibliographic source:
Environmental Toxicology and Chemistry, 33: 12, pp. 2679-2687.
Reference Type:
publication
Title:
Technical basis for establishing sediment quality criteria for nonionic organic chemicals using equilibrium partitioning.
Author:
Di Toro DM, Zarba CS, Hansen DJ, Berry WJ, Swartz RC, Cowan CE, Pavlou SP, Allen HE, Thomas NA, Paquin PR.
Year:
1991
Bibliographic source:
Environmental toxicology and chemistry,10, pp. 1541-1583.

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
The endpoint calculated is the LL50, EL50, and NOELR -
The narcosis target lipid model was developed to predict the toxicity of chemicals to aquatic organisms that act via narcosis. It is based on the hypothesis that target lipid is the site of toxic action within the organism, that octanol is the appropriate surrogate, and that target lipid has the same physical–chemical properties in all organisms.
The approach describes:
• The theory and how to predict the acute toxicity to these organisms;
• Development of an Acute to Chronic ratio [ACR] for only hydrocarbons and for 29 data points.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2,4,4-trimethylpentene
EC Number:
246-690-9
EC Name:
2,4,4-trimethylpentene
Cas Number:
25167-70-8
Molecular formula:
C8H16
IUPAC Name:
2,4,4-trimethylpent-1-ene
Specific details on test material used for the study:
NA

Sampling and analysis

Analytical monitoring:
not required

Test organisms

Test organisms (species):
Lumbriculus variegatus

Study design

Study type:
other: (Q)SAR

Results and discussion

Effect concentrationsopen allclose all
Key result
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
187.863 mg/kg sediment dw
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality
Key result
Duration:
28 d
Dose descriptor:
other: NOELR
Effect conc.:
35.989 mg/kg sediment dw
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
reproduction
Remarks:
biomass

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
The estimated LL50 for this substance is 187.863 mg/kg and the NOELR was 35.989 mg/kg.
Executive summary:

The registered substance is highly volatile which complicates environmental testing. Therefore, a modeling framework is needed to account for the bioavailability of the substance to perform read-across and data gap filling. The TLM-EqP modeling has been validated as a suitable method for predicting effect values in sediment and soil organisms. The TLM-EqP predicted effect values (28-days) for this substance were 187.863 and 35.989 mg/kg sediment dw for short-term (LL50) and long-term effects (NOELR), respectively.