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EC number: 300-339-7 | CAS number: 93925-37-2
- 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: aquatic / sediment
- Type of information:
- other: Expert Statement
- Adequacy of study:
- key study
- Study period:
- 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Statement is based on valid study data.
Data source
Reference
- Reference Type:
- other: Company data
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
- Principles of method if other than guideline:
- The physicochemical properties of the test substance, and extensive ecotoxicity studies provide strong support in determining the bioaccumulation potential for this substance, and therefore may substitute for the experimentation of in vivo effects.
- GLP compliance:
- no
Test material
- Reference substance name:
- 2-Propenoic acid, butyl ester, reaction products with butadiene, sulfur and tri-Ph phosphite
- EC Number:
- 300-339-7
- EC Name:
- 2-Propenoic acid, butyl ester, reaction products with butadiene, sulfur and tri-Ph phosphite
- Cas Number:
- 93925-37-2
- Molecular formula:
- C18H15O3P.C7H12O2.C4H6.S as an example
- IUPAC Name:
- 2-Propenoic acid, butyl ester, reaction products with butadiene, sulfur and tri-Ph phosphite
Constituent 1
- Radiolabelling:
- no
Results and discussion
Any other information on results incl. tables
- Screening data
- Measured data
- Summary and discussion of bioaccumulation
Bioaccumulation (B) Assessment
Aquatic bioaccumulation
Based on molecular size, the representative structures that comprise the majority of this UVCB substance have a molecular diameter greater than 2.0 nm which is greater than the ECHA criterion of 1.5 to 1.7 below which bioaccumulation potential is a concern.
ECHA Guidance R7c 10.3.2 states that QSAR and read across can be used for the assessment of bioaccumulation on the chemical of interest. Measured data on the structurally similar substance CAS#115-86-6 (as identified by Toxmatch Tanimoto fingerprint) shows measured data for multiple fish species with BCF values less than 1,000.
Based on molecular size, the representative structures that comprise the majority of this UVCB substance have a molecular diameter greater than 2.0 nm which is greater than the ECHA criterion of concern for bioaccumulation. Based on read across to structurally similar substances, using the Toxmatch software, Tanimoto index, and Caesar database, the representative structures in this UVCB have low bioaccumulation potential with BCF values in various fish species all less than 2,000. Based on BCF predictions using QSAR models found in EPISuite and CAESAR, the representative structures in this UVCB have a low potential for bioaccumulation potential.
Table32. Criteria for Bioaccumulation
Parameter |
ECHA Criterion* |
Results for Substance |
Screening Assignment based on Data for Substance |
Octanol-water partitioning coefficient |
Log Kow <4.5 |
3.7 to 7.8 |
Definitive assignment not possible based on range of Kow values for complex mixture; defer to experimental results, modeling results, and weight of evidence |
Molecular size |
Molecular diameter >1.5 to 1.7 nm |
Representative structures for the majority of the UVCB have molecular diameters greater than 2.0 nm** |
Not vB |
Structural similarity or class of chemicals |
Similarity to class of chemicals known to accumulate in living organisms? |
Material is not structurally similar to any known materials that fulfill the screening criteria |
Not B Not vB |
BCF in fish |
>2,000 L/kg B >5,000 L/kg B |
Rainbow trout 271 and 573 Goldfish 150 Fathead minnow 573 Medaka 144 (for read across to structurally similar substance CAS# 115-86-6. data from EPA Ecotox database) |
Not B Not vB |
QSAR |
Log Kow or BCF Prediction |
CAESAR and EPISUITE |
Not B Not vB |
* Based on criterion described in ECHA 2008, “Guidance on information requirements and chemical safety assessment. Chapter R.11: PBT Assessment”
** Molecular diameter measured using Accelrys Molecular Modelling software
Table33. Summary of Bioaccumulation Potential by Representative Structures
Representative Structure |
Property |
Screening Assignment |
Figure 1 |
CAESAR predicted BCF 11 Molecular diameter 2.4 nm Structurally similar chemicals in CAESAR have measured BCF values less than 2000 |
Not B Not vB |
Figure 2 |
CAESAR predicted BCF 25 Molecular diameter 2.1 nm Structurally similar chemicals in CAESAR have measured BCF values less than 2000 |
Not B Not vB |
Figure 3 |
CAESAR predicted BCF 3 Molecular diameter 2.2 nm EPISuite BCF modelling predicts BCF in fish of 61 Structurally similar chemicals in CAESAR have measured BCF values less than 2000 |
Not B Not vB |
Figure 4 |
CAESAR predicted BCF 98 Structurally similar chemicals in CAESAR have measured BCF values less than 2,000 Structurally similar to CAS# 115-86-6 based on Tanimoto fingerprint Measured BCF data in multiple fish species (source: EPA Ecotox database) show BCF values less than 1,000 |
Not B Not vB |
Figure 5 |
CAESAR predicted BCF 34 EPISuite BCF modeling predicts BCF in fish of 159 Structurally similar chemicals in CAESAR have measured BCF values less than 2,000 |
Not B Not vB |
Terrestrial bioaccumulation
Data on terrestrial bioaccumulation are not considered to be required for the substance. In accordance with REACH legislation the test does not need to be conducted if direct and indirect exposure to the terrestrial compartment is unlikely. In addition, the results of the CSR for this substance and the PEC/PNEC ratios for the local and regional terrestrial compartment indicate no risk. ECHA Chapter R.7B guidance states that if the PEC/PNEC ratio is below 1, then no risk for the compartment is indicated and there is no need to perform further tests. Furthermore, this substance does not meet the B or vB criterion and it is not considered to be a PBT.
Conclusion:
The test materials is not bioaccumulative.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Based on the weight of evidence (measured Log Kow data, and QSAR predictions), this substance is expected to have low bioaccumulation potential. This substance does not meet the criteria of concern for bioaccumulation.
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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