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EC number: 228-408-6 | CAS number: 6259-76-3
- 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, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 1982
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- This data was taken from the Handbook of Chemical Property Estimation Methods which describes the methods used for estimating bioconcentration factors in aquatic organisms. These methods are based on data from laboratory experiments that were designed to maintain relatively constant amounts of the chemical in the water environment, and where equilibrium concentrations of the chemical could be ascertained. This handbook is well recognised and reliable.
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:
- review article or handbook
- Title:
- Handbook of Chemical Property Estimation Methods: Environmental Behavior of Organic Compounds
- Author:
- Lyman, W.J., Rosenblatt, D.H. and Reehl, W.J.
- Year:
- 1 982
- Bibliographic source:
- Handbook of Chemical Property Estimation Methods: Environmental Behavior of Organic Compounds
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- This data was taken from the Handbook of Chemical Property Estimation Methods which describes the methods used for estimating bioconcentration factors in aquatic organisms. These methods are based on data from laboratory experiments that were designed to maintain relatively constant amounts of the chemical in the water environment, and where equilibrium concentrations of the chemical could be ascertained.
- GLP compliance:
- no
- Remarks:
- not required
Test material
- Reference substance name:
- Hexyl salicylate
- EC Number:
- 228-408-6
- EC Name:
- Hexyl salicylate
- Cas Number:
- 6259-76-3
- Molecular formula:
- C13H18O3
- IUPAC Name:
- hexyl salicylate
- Details on test material:
- - Name of test material (as cited in study report): Hexyl Salicylate
Constituent 1
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
Not relevant - Radiolabelling:
- no
Sampling and analysis
- Details on sampling:
- Not relevant
Test solutions
- Vehicle:
- no
- Details on preparation of test solutions, spiked fish food or sediment:
- Not relevant
Test organisms
- Test organisms (species):
- other: Please see below
- Details on test organisms:
- Calculations are based on the following species: Fathead minnow, Bluegill sunfish, Rainbow trout and Mosquito fish
Study design
- Route of exposure:
- aqueous
- Test type:
- flow-through
- Water / sediment media type:
- not specified
Test conditions
- Hardness:
- Estimation by Calculation
- Test temperature:
- Estimation by Calculation
- pH:
- Estimation by Calculation
- Dissolved oxygen:
- Estimation by Calculation
- TOC:
- Estimation by Calculation
- Salinity:
- Estimation by Calculation
- Details on test conditions:
- Estimation by Calculation
- Nominal and measured concentrations:
- Estimation by Calculation
- Reference substance (positive control):
- not required
- Remarks:
- Estimation by Calculation
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
Log Kow = 5.5 (Rudio 1996)
Equation: Log BCF = 0.76 Log Kow - 0.23 (Equation no 5.2 - Handbook of Chemical Estimation Methods)
Log BCF = 3.95
BCF = 8913
Results and discussion
Bioaccumulation factor
- Type:
- BCF
- Value:
- 8 913 L/kg
- Basis:
- other: QSAR calculated from LogKow
- Details on kinetic parameters:
- Please see Table 1 for full calculation
- Metabolites:
- Not relevant
- Results with reference substance (positive control):
- Not relevant
- Details on results:
- Please see Table 1 for full calculation
- Reported statistics:
- Please see Table 1 for full calculation
Any other information on results incl. tables
Table 1: results
Molecular Weight |
Log K(ow) |
Log (l/s) |
l/s (l/mol) |
S (mol/L) |
S (mg/L) |
Log BCF calc. |
BCF |
Bioaccumulation Significant? |
S measured mg/L |
Vp mmHg at 20°C |
VOC defined as vp >0.076 mm Hg |
HLC calc Pa m3/mol |
HLC Quoted/measured Pa m3/mol |
Ex Croner Env |
LogKoc calc |
Koc calc |
Koc quoted/measured |
Interpretation of Koc |
Log Koc calc |
Koc calc |
222 |
5.5 |
5.05 |
1.13E+05 |
8.88E-06 |
2 |
3.95 |
8913 |
Y |
2.0 |
0.01 |
N |
150.1 |
H |
5.15 |
1E+04 |
3.5E+04 (Based on BAC & HCA) |
H |
3.5 |
2981 |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Estimation by calculation
- Conclusions:
- The log BCF value of Hexyl Salicylate is 3.95 according to calculations described in the handbook of calculations.
- Executive summary:
Data was taken from the Handbook of Chemical Property Estimation Methods which describes the methods used for estimating bioconcentration factors in aquatic organisms. These methods are based on data from laboratory experiments that were designed to maintain relatively constant amounts of the chemical in the water environment, and where equilibrium concentrations of the chemical could be ascertained.
Using the logKow figure determined by Rudio (1996) of 5.5, a BCF was derived using the equation described in the Handbook of Chemical Property Estimation Methods.The Log BCF was estimated to be 3.95 (BCF = 8913).
Due to the readily biodegradable nature of hexyl salicylate, exposure to the aquatic environment will be limited. Its readily biodegradable nature will also mean that the BCF will be lower than that estimated from the Log Kow as the substance is expected to be metabolised by aquatic organisms.
Further calculations were performed using the current version of the BCFBAF model within the EPA's Epiweb program (http://www.epa.gov/opptintr/exposure/pubs/episuite.htm). This uses a slightly different formula to estimate BCF to that described in the handbook of calculations resulting in an estimated BCF of 1977. In addition to this, the model estimates the biotransformation half life as 0.24 days and uses this to refine the BCF estimates. These additional calculations estimate Log BCF in the range 1.99 to 2.17 (BCF = 98 to 148).
In view of the above considerations and the requirement to avoid unnecessary animal testing, no further studies are proposed.
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