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EC number: 232-311-4 | CAS number: 8002-50-4 Extractives and their physically modified derivatives such as proteins, carbohydrates, lipids, nucleic acids, inorganic ions, etc. obtained from Brevoortia tyrannis.
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The partition coefficient is estimated from molecular fragments (KOWWIN v1.68).
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SMILES: CCCCCCCCCCCCCCCC(=O)(OCC(COC(=O)(CCCCCCCC=CCC=CCCCCC))OC(=O)(CCCCCCCCCCCCCCCCCCC)); MOL FOR: C57 H106 O6; MOL WT : 887.48;
- Type:
- log Pow
- Partition coefficient:
- 23.506
- Remarks on result:
- other: temperature and pH are not given
- Conclusions:
- The estimated log Pow (Kow) of menhaden oil is 23.5058.
- Executive summary:
The log Pow of menhaden oil is determined with EPI Suite v.4.11. The calculation is based on molecular fragments. The log Pow (Kow) is 23.5058 and indicates that menhaden oil is a lipophilic substance.
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The partition coefficient is estimated from molecular fragments (KOWWIN v1.68).
- GLP compliance:
- no
- Type of method:
- other: calculation
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SMILES : O=C(CCCCCCCCCCCCCCCCC)OCC(OC(=O)(CCCCCCCCCCCCCCCC))COC(=O)(CCCCCCCCCCCCCCC); CHEM: Glycerides, C16-18; MOL FOR: C54 H104 O6; MOL WT: 849.43;
- Type:
- log Pow
- Partition coefficient:
- 22.462
- Remarks on result:
- other: temperature and pH are not given
- Conclusions:
- The estimated log Pow (Kow) of Glycerides, C16-18 is 22.4625.
- Executive summary:
The log Pow of Glycerides, C16 -18 is determined with EPI Suite v.4.11. The calculation is based on molecular fragments. The log Pow (Kow) is 22.4625 and indicates that menhaden oil is a lipophilic substance.
Referenceopen allclose all
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+--------
Frag | 3 | -CH3 [aliphatic carbon] | 0.5473 | 1.6419
Frag | 46 | -CH2- [aliphatic carbon] | 0.4911 | 22.5906
Frag | 1 | -CH [aliphatic carbon] | 0.3614 | 0.3614
Frag | 4 | =CH- or =C< [olefinc carbon] | 0.3836 | 1.5344
Frag | 3 | -C(=O)O [ester, aliphatic attach] |-0.9505 | -2.8515
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+--------
Log Kow = 23.5058
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+--------
Frag | 3 | -CH3 [aliphatic carbon] | 0.5473 | 1.6419
Frag | 47 | -CH2- [aliphatic carbon] | 0.4911 | 23.0817
Frag | 1 | -CH [aliphatic carbon] | 0.3614 | 0.3614
Frag | 3 | -C(=O)O [ester, aliphatic attach] |-0.9505 | -2.8515
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+--------
Log Kow = 22.4625
Description of key information
Two calculations based on molecular fragments yield Log Pow > 22 for menhaden oil and other triglycerides of long chain fatty acids. Therefore, menhaden oil is expected to be a highly lipophilic substance.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 22.4
Additional information
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.
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