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EC number: 294-304-2 | CAS number: 91697-43-7
- 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
Long-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- key study
- Study period:
- 06 - 27 Sept 1995
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP-Guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- other: OECD 202 of 1984 and additional suggestions for OECD 202 part 2 of 1993
- GLP compliance:
- yes
- Analytical monitoring:
- no
- Vehicle:
- no
- Details on test solutions:
- PREPARATION AND APPLICATION OF TEST SOLUTION
- Two stock solutions with nominal concentrations of 1 and 100 mg/L M4 medium; 16 h to 7 d magnetic stirring; suspensions were filtered via glas fibre filter (pre-treated with NaOH) - Test organisms (species):
- Daphnia magna
- Details on test organisms:
- TEST ORGANISM
- Common name: water flea
- Source: in-house culture, originally obtained from BGA Berlin, May 1994
- Feeding during test: yes
- Food type: Scenedesmus subspicatus
- Amount: 0-7 d old animals: 2.5*10E6 cells/daphnid/d; >7d old animals: 5.0*10E6 cells/daphnid/d
- Frequency: daily - Test type:
- semi-static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 21 d
- Post exposure observation period:
- not relevant
- Test temperature:
- 21.6 - 23.2°C
- pH:
- 7.7 - 8.2
- Dissolved oxygen:
- 84 - 100% saturation (90-100% in control; 84-97% in 1 mg/L; 86-98% in 100 mg/L)
- Nominal and measured concentrations:
- nominal: 0, 1 and 100 mg/L
- Details on test conditions:
- TEST SYSTEM
- Test vessel: 100 mL Erlenmeyer flask
- Type: closed with watchglass
- Material, size, headspace, fill volume: 50 mL test solution
- Renewal rate of test solution (frequency/flow rate): every 2 to 3 days
- No. of organisms per vessel: 1
- No. of vessels per concentration (replicates): 10
- No. of vessels per control (replicates): 10
OTHER TEST CONDITIONS
- Photoperiod: 16 hours light, 8 hours dark
- Light intensity: 300 Lux
EFFECT PARAMETERS MEASURED: number of offspring per daphnid
- Reference substance (positive control):
- no
- Duration:
- 21 d
- Dose descriptor:
- NOEC
- Effect conc.:
- >= 100 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- other: filtered test solution
- Basis for effect:
- reproduction
- Duration:
- 21 d
- Dose descriptor:
- EC50
- Effect conc.:
- > 100 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- other: filtered test solution
- Basis for effect:
- reproduction
- Details on results:
- - Mortality of parent animals: 0%
- No. of offspring produced per day per female: 4.3 daphnids/day in the control; 4.1 daphnids/day in 1 mg/L TS and 4.0 daphnids/day in 100 mg/L test substance
- Time to first brood release or time to hatch: 7 days after test begin in the control - Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- key study
- Study period:
- 06 Oct - 28 Oct 1995
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study with restrictions. Insoluble test substance was visible during the test.
- Qualifier:
- according to guideline
- Guideline:
- other: OECD 202, adopted 04 Apr 1984
- Qualifier:
- according to guideline
- Guideline:
- other: DIN method proposal, adopted 22 Nov 1990
- Qualifier:
- according to guideline
- Guideline:
- other: method proposal for OECD 202, part 2, adopted Jun 1993
- GLP compliance:
- yes
- Analytical monitoring:
- yes
- Vehicle:
- no
- Details on test solutions:
- PREPARATION AND APPLICATION OF TEST SOLUTION (especially for difficult test substances)
- Method: Stock solutions of the test substance were produced in M4 medium at nominal concentrations of 1 and 100 mg/L. The stock solutions were continuously stirred for at least 16 h and up to 5 days. These suspensions were carefully filtrated through a NaOH pretreated glass fibre filter. The aqueous phases saturated with test substance were then used in the test without further dilution. - Test organisms (species):
- Daphnia magna
- Details on test organisms:
- TEST ORGANISM
- Common name: Water flea
- Strain: Straus 1820
- Source: Laboratory breed at TTB-Ökologie, Henkel KGaA, received from BGA Berlin May 1994
- Food type: Scenedesmus subspicatus
- Amount: age 0 - 7 days: 2.5E06 cells/daphnid, age > 7 days: 5.0E06 cells/daphnid
- Frequency: daily - Test type:
- semi-static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 21 d
- Hardness:
- no data
- Test temperature:
- 20.9 - 22.1 °C
- pH:
- 7.8 - 8.3
- Dissolved oxygen:
- 90 - 100% saturation
- Nominal and measured concentrations:
- Nominal: 0, 1 and 100 mg/L
Measured at 0, 24, 48 and 72 h: < 0.01 mg/L (LOQ) - Details on test conditions:
- TEST SYSTEM
- Test vessel: Erlenmeyer flask
- Type (delete if not applicable): closed (covered with watchglass)
- Material, size, fill volume: glass, 100 mL, 50 mL
- Renewal rate of test solution (frequency/flow rate): every 2 - 3 days
- No. of organisms per vessel: 10
- No. of vessels per concentration (replicates): 10
- No. of vessels per control (replicates): 10
TEST MEDIUM / WATER PARAMETERS
- Source/preparation of dilution water: M4-medium according to guideline (no information about the water used)
OTHER TEST CONDITIONS
- Photoperiod: 16 h light/8 h darkness
- Light intensity: approx. 300 lux
EFFECT PARAMETERS MEASURED (with observation intervals if applicable): Reproduction rate, mortality and other toxic effects
TEST CONCENTRATIONS
- Spacing factor for test concentrations: 100
- Range finding study
- Test concentrations: nominal 100 mg/L
- Results used to determine the conditions for the definitive study: no negative effects were observed at 100 mg/L - Duration:
- 21 d
- Dose descriptor:
- EL50
- Effect conc.:
- > 100 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Remarks:
- WAF
- Basis for effect:
- other: reproduction and mortality
- Remarks on result:
- other: measured concentration < 0.01 mg/L
- Duration:
- 21 d
- Dose descriptor:
- NOELR
- Effect conc.:
- >= 100 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Remarks:
- WAF
- Basis for effect:
- other: reproduction and mortality
- Remarks on result:
- other: measured concentration < 0.01 mg/L
- Details on results:
- - Mortality of control: No mortality was observed in the control
- Any observations (e.g. precipitation) that might cause a difference between measured and nominal values: The stock solution at 100 mg/L was turbid.
- Effect concentrations exceeding solubility of substance in test medium: yes - Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The target substance FATTY ACIDS, COCO, ISO-BU ESTERS (CAS 91697-43-7) and the source substance FATTY ACIDS, C16-18, ISOBUTYL ESTERS (CAS 85865-69-6) are both Short Chain Alcohol Esters (SCAE C2-C8) composed by a fatty acid (C16-C18) and a C4 alcohol (isobutanol).
The source and the target substance show therefore the same reactive groups and a similar composition. A read-across to the source is therefore justified.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
Both target and source substances are fatty acid esters produced by chemical reaction of an alcohol (isobutanol) with organic acids (e. g. stearic acid) in the presence of an acid catalyst. The esterification reaction is started by a transfer of a proton from the acid catalyst to the acid to form an alkyloxonium ion. The carboxylic acid is protonated on its carbonyl oxygen followed by a nucleophilic addition of a molecule of the alcohol to a carbonyl carbon of acid. An intermediate product is formed. This intermediate product loses a water molecule and proton to give an ester. Monoesters are the final product of esterification.
3. ANALOGUE APPROACH JUSTIFICATION
Since both target and source substances are fatty acid esters produced by chemical reaction of an alcohol (isobutanol) with an organic acid and therefore share similar/overlapping structural features and functional groups, it is justified to use a read across approach. The source substance has been registered already and its long term toxicity to aquatic invertebrates has been investigated using a grouping of substance and read across approach. It has been concluded that no toxicological long-term effects on aquatic invertebrates are expected up to the limit of water solubility for of Fatty acids, C16-18, isobutyl esters (CAS No. 85865-69-6).
The same behaviour is predicted for the target substance FATTY ACIDS, COCO, ISO-BU ESTERS (CAS 91697-43-7) . - Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Duration:
- 21 d
- Dose descriptor:
- NOEC
- Effect conc.:
- > 100 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- reproduction
- Conclusions:
- No toxicological long-term effects on aquatic invertebrates are expected up to the limit of water solubility for of Fatty acids, C16-18, isobutyl esters (CAS No. 85865-69-6)
- Executive summary:
Since both target and source substances are fatty acid esters produced by chemical reaction of an alcohol (isobutanol) with an organic acid and therefore share similar/overlapping structural features and functional groups, it is justified to use a read across approach. The source substance has been registered already and its long term toxicity to aquatic invertebrates has been investigated using a grouping of substance and read across approach. It has been concluded that no toxicological long-term effects on aquatic invertebrates are expected up to the limit of water solubility for of Fatty acids, C16-18, isobutyl esters (CAS No. 85865-69-6).
The same behaviour is predicted for the target substance FATTY ACIDS, COCO, ISO-BU ESTERS (CAS 91697-43-7) .
Referenceopen allclose all
Table 1: Reproduction and mortality after 21 days:
Concentration (mg/L) |
Average reproduction (offspring/daphnid/day) |
Mortality (%) |
0 |
4.3 |
0 |
1 |
4.1 |
0 |
100 |
4.0 |
0 |
No negative effects were observed in the range of water solubility of the test substance.
Table: Reproduction and mortality of D. magna exposed to the test substance for 21 days. The reproduction rate is given per surviving parent animal counted from the first appearance of neonates in the control (9 days after test start).
Concentration (mg/L) |
Average Reproduction Rate (Neonates/daphnid*day) |
Mortality (%) |
0 |
5.8 |
0 |
1 |
5.8 |
0 |
100 |
7.0 |
10 |
Description of key information
No effects up to the limit of water solubility for Daphnia magna (OECD 202 part 2)
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 100 mg/L
Additional information
.
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