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Diss Factsheets
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EC number: 203-965-8 | CAS number: 112-38-9
- 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:
- weight of evidence
- Study period:
- 2014
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: This Episuite 4.1 BCFBAF v3.01 result on undecylenic acid is used in the framework of a weight of evidence approach.
Data source
Reference
- Reference Type:
- other: Software
- Title:
- Spreadsheet results of Episuite 4.1, BCFBAF v3.01 module on undecylenic acid
- Author:
- Episuite 4.1, BCFBAF v3.01 module
- Year:
- 2 014
- Bibliographic source:
- Episuite
Materials and methods
- Principles of method if other than guideline:
- Validated Episuite QSAR, BCFBAC v3.01 module.
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Undec-10-enoic acid
- EC Number:
- 203-965-8
- EC Name:
- Undec-10-enoic acid
- Cas Number:
- 112-38-9
- Molecular formula:
- C11H20O2
- IUPAC Name:
- undec-10-enoic acid
- Test material form:
- not specified
- Details on test material:
- n.a.
Constituent 1
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
n.a. - Radiolabelling:
- not specified
Sampling and analysis
- Details on sampling:
- n.a.
Test solutions
- Vehicle:
- not specified
- Details on preparation of test solutions, spiked fish food or sediment:
- n.a.
Test organisms
- Test organisms (species):
- other: Fish
- Details on test organisms:
- n.a.
Test conditions
- Hardness:
- n.a
- Test temperature:
- n.a.
- pH:
- n.a.
- Dissolved oxygen:
- n.a.
- TOC:
- n.a.
- Salinity:
- n.a.
- Details on test conditions:
- n.a.
- Nominal and measured concentrations:
- n.a.
- Reference substance (positive control):
- not required
- Details on estimation of bioconcentration:
- n.a.
Results and discussion
Bioaccumulation factor
- Key result
- Value:
- 3.16 L/kg
- Remarks on result:
- other: QSAR result
- Details on kinetic parameters:
- n.a.
- Metabolites:
- n.a.
- Results with reference substance (positive control):
- n.a.
- Details on results:
- n.a.
- Reported statistics:
- n.a.
Any other information on results incl. tables
SMILES : C=CCCCCCCCCC(=O)O
CHEM : MOL FOR: C11 H20 O2
MOL WT : 184.28
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 1.23 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 2.54 (BAF = 347 L/kg wet-wt)
=============================
BCF (Bioconcentration Factor):
=============================
Log Kow (estimated) : 4.37
Log Kow (experimental): 3.86
Log Kow used by BCF estimates: 4.00 (user entered)
Equation Used to Make BCF estimate: Log BCF = 0.50 (Ionic; Log Kow dependent)
Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt) ===========================================================
Whole Body Primary Biotransformation Rate Estimate for Fish: =========================================================== -------+-----+---------------------------------------------------------------------+---------+---------
TYPE |NUM| LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE -------+-----+---------------------------------------------------------------------+---------+---------
Frag | 1 | Aliphatic acid [-C(=O)-OH] | 0.3803 | 0.3803
Frag | 8 | -CH2 - [linear] | 0.0242 | 0.1935
Frag | 3 | -C=CH [alkenyl hydrogen] | 0.0988 | 0.2965
Frag | 3 | -C=CH [alkenyl hydrogen] | 0.0000 | 0.0000
L Kow| * | Log Kow = 4.00 (user-entered ) | 0.3073 | 1.2294
MolWt| * | Molecular Weight Parameter | | -0.4726
Const | * | Equation Constant | | -1.5371 =========+==============================================+======+=======
RESULT | LOG Bio Half-Life (days) | | 0.0901
RESULT | Bio Half-Life (days) | | 1.231
NOTE | Bio Half-Life Normalized to 10 g fish at 15 deg C | | =========+==============================================+======+=========
Biotransformation Rate Constant:
kM (Rate Constant): 0.5633 /day (10 gram fish)
kM (Rate Constant): 0.3168 /day (100 gram fish)
kM (Rate Constant): 0.1781 /day (1 kg fish)
kM (Rate Constant): 0.1002 /day (10 kg fish)
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = 2.540 (BCF = 347 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 2.541 (BAF = 347.3 L/kg wet-wt)
Estimated Log BCF (mid trophic) = 2.542 (BCF = 348.1 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 2.545 (BAF = 351 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 2.530 (BCF = 338.7 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 2.544 (BAF = 349.6 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 3.015 (BCF = 1034 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 3.373 (BAF = 2360 L/kg wet-wt)
Applicant's summary and conclusion
- Executive summary:
Episuite 4.1, BCFBAF module v3.01 gave a BCF value of 3.16 L/kg for undecylenic acid, taking an experimental log Kow of 4 in the modelisation. This model supports the non-bioaccumulative behaviour of undecylenic acid in fish.
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