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Registration Dossier
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EC number: 603-419-2 | CAS number: 13043-55-5
Toxicity to aquatic algae and cyanobacteria
Administrative data
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Information from a widely used QSAR that is considered to be reliable.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR model
- Title:
- Ecological Structure Activity Relationships (ECOSAR) model) v1.11
- Author:
- US EPA
- Year:
- 2 012
- Bibliographic source:
- http://www.epa.gov/oppt/newchems/tools/21ecosar.htm
Materials and methods
- Principles of method if other than guideline:
- Not applicable. QSAR. Results considered to be predictive of standard tests.
Test material
- Reference substance name:
- 7-methylidenepentadecane
- EC Number:
- 603-419-2
- Cas Number:
- 13043-55-5
- Molecular formula:
- C16H32
- IUPAC Name:
- 7-methylidenepentadecane
- Details on test material:
- Structure used for modelling (Smiles code) CCCCCCC(=C)CCCCCCCC
Constituent 1
Test organisms
- Test organisms (species):
- other: algae - not specified
Study design
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 96 h
Results and discussion
- Details on results:
- EC50 is expected to exceed the water solubility of the substance.
Any other information on results incl. tables
ECOSAR Version 1.11 Results Page
SMILES : CCCCCCC(=C)CCCCCCCC
CHEM :
CAS Num:
ChemID1:
MOL FOR: C16 H32
MOL WT : 224.43
Log Kow: 8.119 (EPISuite Kowwin v1.68 Estimate)
Log Kow: (User Entered)
Log Kow: (PhysProp DB exp value - for comparison only)
Melt Pt: -36.00 (deg C, User Entered for Wat Sol estimate)
Melt Pt: (deg C, PhysProp DB exp value for Wat Sol estimate)
Wat Sol: 0.001272 (mg/L, EPISuite WSKowwin v1.43 Estimate)
Wat Sol: (User Entered)
Wat Sol: (PhysProp DB exp value)
--------------------------------------
Values used to Generate ECOSAR Profile
--------------------------------------
Log Kow: 8.119 (EPISuite Kowwin v1.68 Estimate)
Wat Sol: 0.001272 (mg/L, EPISuite WSKowwin v1.43 Estimate)
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Available Measured Data from ECOSAR Training Set
------------------------------------------------
No Data Available
--------------------------------------
ECOSAR v1.11 Class-specific Estimations
--------------------------------------
Neutral Organics
Predicted
ECOSAR Class Organism Duration End Pt mg/L (ppm)
=========================== ================== ======== ====== ==========
Neutral Organics : Green Algae 96-hr EC50 0.005 *
Note: * = asterisk designates: Chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported.
------------------------------
Class Specific LogKow Cut-Offs
------------------------------
If the log Kow of the chemical is greater than the endpoint specific cut-offs presented below, then no effects at saturation are expected for those endpoints.
Neutral Organics:
----------------
Maximum LogKow: 6.4 (Green Algae EC50)
Applicant's summary and conclusion
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