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EC number: 230-743-8 | CAS number: 7299-99-2
- 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)
Description of key information
Conclusions regarding the partition coefficient of 2,2 -bis[[(2 -ethyl-1 -oxohexyl)oxy]methyl]propane-1,3 -diyl bis(2 -ethylhexanoate) (Hatcol 3346) are based on read across from analogue substances of a known category (Notified under Directive 67/548/EEC (NONS) in 2003/2004). The log Kow for 2,2 -bis[[(2 -ethyl-1 -oxohexyl)oxy]methyl]propane-1,3 -diyl bis(2 -ethylhexanoate) shall be considered as > 6.7.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.7
- at the temperature of:
- 25 °C
Additional information
REACH Annex XI, Paragraph 1.5 onGrouping of substances and read-across approach states as follows:
Substances whose physicochemical, toxicological and ecotoxicological properties are likely to be similar or follow a
regular pattern as a result of structural similarity may be considered as a group, or ‘category’ of substances. Application
of the group concept requires that physicochemical properties, human health effects and environmental effects or environmental fate may be predicted from data for reference substance(s) within the group by interpolation to other substances in the group (read-across approach). This avoids the need to test every substance for every endpoint. The Agency, after consulting with relevant stakeholders and other interested parties, shall issue guidance on technically and scientifically justified methodology for the grouping of substances sufficiently in advance of the first registration deadline for phase-in substances.
The similarities may be based on:
(1) a common functional group;
(2) the common precursors and/or the likelihood of common breakdown products via physical and biological
processes, which result in structurally similar chemicals; or
(3) a constant pattern in the changing of the potency of the properties across the category.
If the group concept is applied, substances shall be classified and labelled on this basis.
In all cases results should:
— be adequate for the purpose of classification and labelling and/or risk assessment,
— have adequate and reliable coverage of the key parameters addressed in the corresponding test method referred
to in Article 13(3),
— cover an exposure duration comparable to or longer than the corresponding test method referred to in
Article 13(3) if exposure duration is a relevant parameter, and
— adequate and reliable documentation of the applied method shall be provided.
Read across to this structural analogue is considered appropriate, as the substance shares a common data set and structure. Tabulated data below demonstrates the available study. This demonstrates similar characteristics across the group in terms of physico-chemical and toxicological behaviour. As such, it is deemed appropriate to read across to available data to fulfil this endpoint.
Endpoint | Guideline | CAS 144971-11-9 | CAS 131459-39-7 | CAS 452-180-9 | CAS 7299-99-2 |
Physchem |
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Melting/freezing / Pour point | OECD 102 | < -80.5 | < -36 | -30 | 9 deg C |
Boiling point | OECD 103 | dec >175 deg C | 399 deg C | 386 deg C | 415 deg C |
Relative density | OECD 109 | 0.97 | 0.96 | 0.97 | 0.9634 |
Vapour pressure | OECD 104 | 5.7 E-03 | 1.9 | 0.38 | 0.000000306 Pa at 20 °C |
Water solubility | OECD 105 | <0.2 mgl | <0.1 mg/l | <0.2 mmg/l | < 0.4 µg/l. |
n-Octanol-water partition coefficient | OECD 117 / 107 | >6.7* | >7.0* | >6.7* | Read-across: > 6.7; Calculated at 12.34 |
Flash point or flammability | EU A9 / A10 | 215.5 deg c | 260 deg c | 274 deg c | 213 deg c |
Explosivity | EU 14 | waived | waived | waived | Not explosive |
Auto-flammability | EU A15 | 405 | 400 | 415 | waived as FP > 200 Deg C |
Viscosity | OECD 114 | Not listed | Not listed | Not listed | 44 at 40°C |
Mammalian Toxicity | |||||
Acute oral toxicity | OECD 423 | > 2000 | > 2000 | > 2000 | > 2000 mg/kg bw |
Ames test | OECD 471 | negative | No data | negative | Negative |
All members of the category have high partition coefficients (n-octanol/water), expressed as log Kow, due to their hydrophobic nature. Based on structural similarities of the substance of interest and the members of the category it was concluded that it was justified to apply read-across for the partition coefficient of 2,2 -bis[[(2 -ethyl-1 -oxohexyl)oxy]methyl]propane-1,3 -diyl bis(2 -ethylhexanoate). Thus, the partition coefficient Kowof EC 230-743-8 is > 5011873, which corresponds with a log Kow of > 6.7.
In order to give an indication of the possible log Kowof substance EC# 230 -743 -8, this property was calculated using EPISuite 4.0:The stated log Powvalue was estimated with KOWWIN Program (v1.67).
A partition coefficient in excess of 3 is considered to be of concern as potential for bioaccumulation. The likely reliability of the log Pow is, however, considered to diminish above a value of 6. Substances with log Pow between 3 and 6 are considered highly accumulating; however no substantial bioconcentration is assumed for compounds having log Pow with values less than 3 or greater than 6. This correlation has been validated by comparison of published BCF values with the respective calculated log Pow values; the results generally revealing increasing BCF values with increasing log Pow. For compounds having log Pow greater than 6, a gradual decrease of the BCF is observed[1]. It has been hypothesised within the published literature that a high log Pow is more an effect of solubility than a tendency of the substance to be lipophilic.
Suitable references for this are listed in:
Nagel, R; Loskill, R.: Bioaccumulation in Aquatic Systems - Contributions to the Assessment.Proceedings of an International Workshop Weinheim: VCH Verlagsgesellschaft, Fraunhofer IUCT (now IME), 1991 ISBN: 3-527-28395-1 pp.43-66 : Abb.,Tab.
Gary M Rand: Fundamentals of Aquatic Toxicology, Effects, Environmental Fate and Risk Assessment Second Edition; Taylor & Francis, 1995, ISBN:1-56032-091-5 pp.626-629
Guidance for Meeting the SIDS Requirements: Chemical Right-to-Know Initiative, http://www.epa.gov/opptintr/chemrtk/sidsappb.htm, Section 2.5
The Revised GESAMP Hazard Evaluation Procedure for Chemical Substances Carried by Ships, IMO/FAO/UNESCO±IOC/WMO/WHO/IAEA/UN/UNEP, Joint Group of Experts on the Scientific Aspects of Marine Environmental Protection (GESAMP),The Revised GESAMP hazard evaluation procedure; Pow ca. >7.0 equates to BCF not measurable.
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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