Registration Dossier
Registration Dossier
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EC number: 603-419-2 | CAS number: 13043-55-5
Short-term toxicity to aquatic invertebrates
Administrative data
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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):
- Daphnia magna
Study design
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 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)
------------------------------------------------
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 : Daphnid 48-hr LC50 0.000589
------------------------------
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: 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50)
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
