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EC number: 205-393-4 | CAS number: 140-04-5
- 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
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Estimated data generated using the EPI Suite model developed by the USEPA.
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- Prediction done using BCFBAF Program (v3.00) model
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): butyl 12-acetoxyoctadec-9-enoate
- Molecular formula : C24H44O4
- Molecular weight : 396.6076 g/mol - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- not specified
- Water / sediment media type:
- natural water: freshwater
- Test temperature:
- 25 deg.C
- Reference substance (positive control):
- not specified
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 370.7 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: Non bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- From BCFBAF (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for butyl 12-acetoxyoctadec-9-enoate is 370.7 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.
- Executive summary:
From BCFBAF (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for butyl 12-acetoxyoctadec-9-enoate is 370.7 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that chemical butyl 12-acetoxyoctadec-9-enoate is not expected to be bioaccumulative in fish and the food chain.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : O=C(OC(CCCCCC)CC=CCCCCCCCC(=O)OCCCC)C
CHEM : 9-Octadecenoic acid, 12-(acetyloxy)-, butyl ester, R-(Z) -
MOL FOR: C24 H44 O4
MOL WT : 396.62
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 2.57 (BCF = 371 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.749 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 0.65 (BAF = 4.44 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 8.96
Equation Used to Make BCF estimate:
Log BCF = -0.49 log Kow + 7.554 + Correction
Correction(s): Value
Alkyl chains (8+ -CH2- groups) -0.596
Estimated Log BCF = 2.569 (BCF = 370.7 L/kg wet-wt)
Description of key information
From BCFBAF (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for butyl 12-acetoxyoctadec-9-enoate is 370.7 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that chemical butyl 12-acetoxyoctadec-9-enoate is not expected to be bioaccumulative in fish and the food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 370.7 L/kg ww
Additional information
Four studies including predicted data from validated model and experimental results for bioaccumulation (BCF) endpoint of test substance butyl 12-acetoxyoctadec-9-enoate (CAS no.140-04-5) with relevant read across which is structurally similar to target were summarized as follows:
First estimation using the BCFBAF (v3.00) model of EPI suite indicate the bio concentration factor (BCF) fo rbutyl 12-acetoxyoctadec-9-enoate as 370.7 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that chemicalbutyl 12-acetoxyoctadec-9-enoateis not expected to be bioaccumulative in fish and the food chain.
Another prediction database i.e PBT profiler for target also indicate that the Bioaccumulation factor (BCF) for test substance butyl 12-acetoxyoctadec-9-enoate was estimated to be 370 L/kg wet-wt at 25 deg.C. Based on the BCF concentration it is concluded that the test chemical 12-acetoxyoctadec-9-enoate is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Above target predictions are supported by experimental result of read across chemical Bis(2-ethylhexyl)ester hexanedioic acid (Cas no.103 -23 -1) which suggest 28-d uptake and 14-d depuration bioconcentration study of the bluegill sunfish was conducted following U.S. EPA and ASTM procedures. During study, muscle filet and viscera portions were analyzed. Individual samples were converted to 14 CO2 by oxidation/combustion in a Packard 306B Tricarb Sample Oxidizer. Radioassay of the combustion gases were performed by liquid scintillation counting. The diluent water consisted of well water with a hardness of 265 ± 10 mg/L, an alkalinity of 350 ± 25 mg/L, a pH of 7.8 to 8.3 and a specific conductance of 700 µ oham/cm. Dissolved oxygen levels ranged from 9.2 to 10.2 mg/L. A Mount and Brungs proportional diluter delivered water and ['4C]DOA in acetone to the test and control aquaria at a rate of 10 replacement volumes per day. The nominal exposure concentration was 0.20 mg/L. Groups of 130 fish was used. The fish were observed initially and every 24 h during the exposure period for mortality and unusual behavior. Water and fish were sampled during the uptake period at 4 h and 1, 3, 7, 14, 21 and 28 d.Samples were counted for 10 min or to a statistical precision of 0.5% at a two-sigma (95%) confidence level. Counting efficiency and sensitivity were 80.4% and 0.0059 ppm, respectively. On day 28 of the exposure period, the addition of the ['4C]DOA test material was terminated and the fish were exposed to flowing uncontaminated well water for an additional 14 d. During this period, water and fish were sampled on days 29, 31, 35, 38 and 42 and analyzed as during the uptake period. At the end of the experimental study based on the Accumulation effect the Bioconcentration factor (BCF) of chemical Bis(2-ethylhexyl)ester hexanedioic acid (Cas no.140-04-1) in Lepomis macrochirus (Bluegill) was obsrerved to be 27 L/kg. (Environmental Toxicology and Chemistry Vol. 5. pp. 777-784. 1986)
Another study for read across i.e acetyltributyl citrate (Cas no. 77-90-7) indicate an estimated BCF of 35 was calculated in fish for acetyl tributyl citrate, using a log Kow of 4.92 and a regression derived equation this BCF suggests the potential for bioconcentration in aquatic organisms is moderate, provided the compound is not metabolized by the organism.(HSDB database;2017)
Thus all above available values for bioaccumulation (BCF) is in the range of 27 to 370 (L/kg or dimensionless) which gives the final conclusion as target substancebutyl 12-acetoxyoctadec-9-enoate(Cas no.140-04-5) is non Bioaccumulative in aquatic environment.
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