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EC number: 272-911-3 | CAS number: 68920-03-6 A complex combination obtained by steam distillation of C16-18 and C18-unsatd. glycerides followed by condensation of the steam.
- 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Estimation according to BCFBAF v3.01 of EPIWIN.
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- other: software
- Title:
- Unnamed
- Year:
- 2 011
Materials and methods
- Principles of method if other than guideline:
- The BCF value was determined using the BCFBAF v3.01 program of EPIWEB v 4.1. for 'glycerides, C16-18 and C18-unsatd., deodorizer distillates’ i.e. triglyceride with maximal chain length (i.e. tristearin) and on fatty acids of chain lengths from C16-18, including C18-unsatd. as well as on unsaponifiable matter (UM) (e.g. tocopherols, sterols, sterol esters and squalene). The BCF values for fatty acids, trigyycerides and UM's have been presented in this summary to represent the worst case scenario and the final BCF value have been provided as range.
- GLP compliance:
- no
Test material
- Reference substance name:
- 'Glycerides, C16-18 and C18-unsatd., deodorizer distillates’
- IUPAC Name:
- 'Glycerides, C16-18 and C18-unsatd., deodorizer distillates’
- Reference substance name:
- Glycerides, C16-18 and C18-unsatd., deodorizer distillates
- EC Number:
- 272-911-3
- EC Name:
- Glycerides, C16-18 and C18-unsatd., deodorizer distillates
- Cas Number:
- 68920-03-6
- Molecular formula:
- No generic molecular formula is available
- IUPAC Name:
- Not applicable for UVCB
- Details on test material:
- - Name of test material (as cited in study report): 'glycerides, C16-18 and C18-unsatd., deodorizer distillates’
- Composition of test material:
A.Glycerides for C18 chain length i.e. tristerain or glycerol tristearate
B. Fatty acid: Stearic, palmitic, oleic, linoleic and linolenic acid
C. Unsaponifiable matters:
(a) Total Tocopherols: (i) alpha-tocopherol (ii) beta-tocopherol (iii) gamma-tocopherol (iv) delta-tocopherol
(b) Total sterols: (i) Cholesterol (ii) Brassicasterol (iii) Campesterol (iv) Stigmasterol (v) β-Sitosterol
(c) Squalene
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
Not applicable
Sampling and analysis
- Details on sampling:
- Not applicable
Test solutions
- Vehicle:
- no
- Details on preparation of test solutions, spiked fish food or sediment:
- Not applicable
Test organisms
- Test organisms (species):
- other: Not applicable
- Details on test organisms:
- Not applicable
Study design
- Route of exposure:
- other: Not applicable
- Test type:
- other: Not applicable
Test conditions
- Hardness:
- Not applicable
- Test temperature:
- Not applicable
- pH:
- Not applicable
- Dissolved oxygen:
- Not applicable
- TOC:
- Not applicable
- Salinity:
- Not applicable
- Details on test conditions:
- Not applicable
- Nominal and measured concentrations:
- Not applicable
- Reference substance (positive control):
- not required
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF v3.01 of EPIWIN was used to derive the BCF values, of three constituents of the test substance i.e. glycerides, free fatty acids and unsaponifiable matter.
- Assumption:
- For the fatty acid component, the BCF values were determined for palmitic acid representing C16 fatty acid; stearic acid representing saturated fatty acids; oleic acid, linoleic acid and linolenic acid representing the mono, di and tri unstaurated fatty acids
- As the BCF value increased with increasing chain length of the glycerides, the highest chain length i.e. tristerain or glycerol tristearate was considered for this constituents to reflect the worst case scenario.
- For the unsaponifiable matters component, the BCF values were determined for the total tocopherols, total sterols and squalene
Hence, the final BCF values were represented as an range.
- Method: Estimated using the the derived QSAR estimation equation for Log Kow > 7.0:
Log BCF = -0.49 Log Kow + 7.554 + Σ correction factors
(n = 35, r2 = 0.634, Q2 = 0.57, std dev = 0.538, avg dev = 0.396)
Results and discussion
Bioaccumulation factoropen allclose all
- Type:
- other: Estimated BCF of glycerides for C18 chain length i.e. tristerain or glycerol tristearate:
- Value:
- 3.162 L/kg
- Basis:
- other: wet weight
- Calculation basis:
- other: log Kow = 23.94 (estimated)
- Remarks on result:
- other: Log BCF from regression-based method
- Type:
- other: Estimated BCF of fatty acid: Stearic acid
- Value:
- 10 L/kg
- Basis:
- other: wet weight
- Calculation basis:
- other: log Kow used: 8.23 (experimental value)
- Remarks on result:
- other: Log BCF from regression-based method
- Type:
- other: Estimation of BCF of fatty acid: Oleic acid
- Value:
- 56.23 L/kg
- Basis:
- other: wet weight
- Calculation basis:
- other: log Kow used: 7.64 (experimental value)
- Remarks on result:
- other: Log BCF from regression-based method
- Type:
- other: Estimation of BCF of fatty acid: Palmitic acid
- Value:
- 56.23 L/kg
- Basis:
- other: wet weight
- Calculation basis:
- other: log Kow used: 7.2 (experimental value)
- Remarks on result:
- other: Log BCF from regression-based method
- Type:
- other: Estimate of BCF of fatty acid: Linoleic acid
- Value:
- 56.23 L/kg
- Basis:
- other: wet weight
- Calculation basis:
- other: log Kow used: 7.05 (experimental value)
- Remarks on result:
- other: Log BCF from regression-based method
- Type:
- other: Estimation of BCF of fatty acid: Linolenic acid
- Value:
- 56.23 L/kg
- Basis:
- other: wet weight
- Calculation basis:
- other: log Kow used: 6.5 (experimental value)
- Remarks on result:
- other: Log BCF from regression-based method
- Type:
- other: Estimated BCF of total tocopherols
- Value:
- ca. 18.2 - 38.59 L/kg
- Basis:
- other: wet weight
- Calculation basis:
- other: log Kow used: 11.78 (mean estimated value for all tocopherols)
- Remarks on result:
- other: Log BCF from regression-based method
- Type:
- other: Estimated BCF of total sterols
- Value:
- ca. 671.2 - 1 871 L/kg
- Basis:
- other: wet weight
- Calculation basis:
- other: log Kow used: 9.18 (mean estimated value for all sterols)
- Remarks on result:
- other: Estimated using Log BCF from regression-based method
- Type:
- other: Estimated BCF of squalene
- Value:
- 4.309 L/kg
- Basis:
- other: wet weight
- Calculation basis:
- other: log Kow used: 14.12 (estimated)
- Remarks on result:
- other: Log BCF from regression-based method
- Details on kinetic parameters:
- Not applicable
- Metabolites:
- Not applicable
- Results with reference substance (positive control):
- Not applicable
- Details on results:
- (A) Glycerides: For C18 chain length i.e. tristerain or glycerol tristearate:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.16 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 3.1075 days (HL = 1281 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
log Kow used: 23.94 (estimated)
(B) Fatty acids: For C18 chain length
(1) Stearic acid:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.000 (BCF = 10 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.3094 days (HL = 20.39 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.331 (BCF = 214.3)
Log BAF Arnot-Gobas method (upper trophic) = 4.897 (BAF = 7.893e+004)
log Kow used: 8.23 (expkow database)
(2) Oleic acid:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.2825 days (HL = 19.17 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.839 (BCF = 690.2)
Log BAF Arnot-Gobas method (upper trophic) = 5.179 (BAF = 1.509e+005)
log Kow used: 7.64 (expkow database)
(3) Palmitic acid:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.0071 days (HL = 10.17 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.974 (BCF = 941.2)
Log BAF Arnot-Gobas method (upper trophic) = 4.610 (BAF = 4.077e+004)
log Kow used: 7.17 (expkow database)
(4) Linoleic acid:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.2557 days (HL = 18.02 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.275 (BCF = 1882)
Log BAF Arnot-Gobas method (upper trophic) = 5.202 (BAF = 1.594e+005)
log Kow used: 7.05 (expkow database)
(5) Linolenic acid:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.2288 days (HL = 16.94 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.559 (BCF = 3626)
Log BAF Arnot-Gobas method (upper trophic) = 4.948 (BAF = 8.873e+004)
log Kow used: 6.46 (expkow database)
(C) Unsaponifiable matter:
(I). Total tocopherols:
(i) α-Tocopherol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.586 (BCF = 38.59 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.4107 days (HL = 25.75 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.034 (BCF = 0.925)
Log BAF Arnot-Gobas method (upper trophic) = 1.321 (BAF = 20.94)
log Kow used: 12.18 (estimated)
(ii) β-Tocopherol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.258 (BCF = 18.12 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.4540 days (HL = 28.44 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.007 (BCF = 1.017)
Log BAF Arnot-Gobas method (upper trophic) = 1.949 (BAF = 89)
log Kow used: 11.63 (estimated)
(iii) γ-Tocopherol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.258 (BCF = 18.12 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.4540 days (HL = 28.44 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.007 (BCF = 1.017)
Log BAF Arnot-Gobas method (upper trophic) = 1.949 (BAF = 89)
log Kow used: 11.63 (estimated)
(iv) δ-Tocopherol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.526 (BCF = 33.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.4972 days (HL = 31.42 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.138 (BCF = 1.373)
Log BAF Arnot-Gobas method (upper trophic) = 2.587 (BAF = 386.1)
log Kow used: 11.08 (estimated)
(II) Total sterols:
(i) Cholesterol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.272 (BCF = 1871 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.2090 days (HL = 161.8 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.591 (BCF = 389.9)
Log BAF Arnot-Gobas method (upper trophic) = 6.041 (BAF = 1.1e+006)
log Kow used: 8.74 (estimated)
(ii) Brassicasterol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.173 (BCF = 1489 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.4195 days (HL = 262.7 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.535 (BCF = 343.1)
Log BAF Arnot-Gobas method (upper trophic) = 6.076 (BAF = 1.192e+006)
log Kow used: 8.94 (estimated)
(iii) Campesterol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.067 (BCF = 1168 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.3311 days (HL = 214.3 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.280 (BCF = 190.5)
Log BAF Arnot-Gobas method (upper trophic) = 5.798 (BAF = 6.276e+005)
log Kow used: 9.16 (estimated)
(iv) Stigmasterol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.932 (BCF = 855.4 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.5586 days (HL = 361.9 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.148 (BCF = 140.5)
Log BAF Arnot-Gobas method (upper trophic) = 5.737 (BAF = 5.46e+005)
log Kow used: 9.43 (estimated)
(v) β-Sitosterol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.827 (BCF = 671.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.4702 days (HL = 295.3 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.891 (BCF = 77.82)
Log BAF Arnot-Gobas method (upper trophic) = 5.458 (BAF = 2.873e+005)
log Kow used: 9.65 (estimated)
(III) Squalene:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.634 (BCF = 4.309 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 4.5456 days (HL = 3.513e+004 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.8994)
Log BAF Arnot-Gobas method (upper trophic) = 1.520 (BAF = 33.11)
log Kow used: 14.12 (estimated) - Reported statistics:
- Not applicable
Any other information on results incl. tables
None
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The estimated BCF of the test substance (considering the constituents glycerides, fatty acids and unsaponifiable matters), according to the BCFBAF v3.01 of EPIWIN, ranges from: 3.16 to 1,871 L/kg wet-wt.
- Executive summary:
The BCF value of ' glycerides, C16-18 and C18-unsatd., deodorizer distillates' was determined using the BCFBAF v3.01 program of EPIWEB v 4.1. for each of its constituents i.e. glycerides and free fatty acids of mainly C16-18 and C18-unsatd., chain lengths and unsaponifiable matter (UM) (e.g. tocopherols, sterols, sterol esters and squalene).The estimation by this method is more or less accurate as the molecular weight and the Kow range for the different constituents of test substance are within the molecular weight and Kow range of the training set compounds, except for the Kow of glycerides.
The estimated BCF of the test substance (considering the constituents glycerides, fatty acids and unsaponifiable matters), according to the BCFBAF v3.01 of EPIWIN, ranges from: 3.16 to 1,871 L/kg wet-wt.
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