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Diss Factsheets
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EC number: 218-451-9 | CAS number: 2155-60-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- Not applicable
- 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:
- In accordance with the ECHA Guidance (Chapter R.7c), a BCF for fish can be estimated for the substance from log Kow using the linear relation of Veith et al (1979). The substance falls within the applicability domain of the linear relation, as its molecular weight is less than 700 g/mole, its log Kow is between 1 to 6 and as the substance is not ionic.
In addition, the BCF was estimated using the BCFBAF program of EPISuite (US EPA).
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Reference
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 17 June 2015 - 16 July 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- (2008)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- (2004)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- (1996)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.8
- Remarks on result:
- other: Non-buffered mobile phase
- Type:
- Pow
- Partition coefficient:
- 6 600
- Remarks on result:
- other: Non-buffered mobile phase
- Details on results:
- In the HPLC chromatogram of the test substance solution, one test substance peak was observed (see attached document).
- Conclusions:
- Using the HPLC method with a non-buffered mobile phase and detection at 210 nm, the log Pow of Dibutyl itaconate has been determined as 3.8. The study is performed in accordance with EC A.8, OECD 117 and EPA OPPTS 830.7570 guidelines and in compliance with GLP.
Table: Results HPLC method (partition coefficient n-octanol-water)
Substance |
tr,1 |
tr,2 |
mean tr |
log Pow |
Pow |
Area |
|
|
|
|
|
|
|
Formamide (t0) |
0.560 |
0.562 |
0.561 |
|
|
|
|
|
|
|
|
|
|
Nitrobenzene |
0.891 |
0.890 |
|
1.9 |
|
|
Bromobenzene |
1.468 |
1.467 |
|
3.0 |
|
|
1,4-Dichlorobenzene |
1.823 |
1.822 |
|
3.4 |
|
|
Biphenyl |
2.433 |
2.432 |
|
4.0 |
|
|
1,2,4-Trichlorobenzene |
2.812 |
2.810 |
|
4.2 |
|
|
Dibenzyl |
4.014 |
4.012 |
|
4.8 |
|
|
|
|
|
|
|
|
|
Test substance |
2.214 |
2.211 |
2.213 |
3.8 |
6.6E03 |
100 |
|
|
|
|
|
|
|
Data source
Materials and methods
- Principles of method if other than guideline:
- QSAR developed by Veith et al (1979): log BCF = 0.85 x log Kow - 0.70
Veith et al (1979): Veith GD, Defoe DL and Bergstedt BV (1979). Measuring and estimating the bioconcentration factor of chemicals in fish. J. Fish. Board Can. 36, 1040-1048.
BCFBAF v3.01 is part of EPISuite v4.11. The BCFBAF program estimates BCF of an organic compound using the compound's log octanol-water partition coefficient (Kow). For logKow between 1.0 and 7.0, the derived QSAR estimation for non-ionic substances is: Log BCF = 0.6598 Log Kow - 0.333 + Σ correction factors (n = 396, r2 = 0.792, Q2 = 0.78, std dev = 0.511, avg dev = 0.395). The regression methodology includes derivation of correction factors based on specific structural features.
Results and discussion
Bioaccumulation factoropen allclose all
- Key result
- Type:
- BCF
- Value:
- 339 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: estimated based on QSAR of Veith et al (1979)
- Key result
- Type:
- BCF
- Value:
- 149 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: estimated based on QSAR of BCFBAF program
Any other information on results incl. tables
Veith et al (1979):
log BCF = (0,85*3,8) - 0.70 = 2,53
BCF = 339 L/kg
BCFBAF program:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): No Applicable Correction Factors
Estimated Log BCF = 2.174 (BCF = 149.4 L/kg wet-wt)
Applicant's summary and conclusion
- Conclusions:
- Using the linear relation of Veith et al (1979) and the measured log Kow, a BCF for fish of 339 L/kg is estimated for the substance.
Using the BCFBAF program of EPISuite and the measured logKow, a BCF for fish of 149 L/kg wwt was estimated for the substance.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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