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EC number: 298-364-0 | CAS number: 93803-89-5
- 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
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- Nanomaterial pour density
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- 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

Endpoint summary
Administrative data
Description of key information
Skin irritation/corrosion: not irritating (OECD 404, GLP, analogue approach)
Eye irritation: not irritating (OECD 405, GLP, analogue approach)
Key value for chemical safety assessment
Skin irritation / corrosion
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Additional information
Justification for grouping of substances and read-across
There are no data available on the skin and eye irritation potential of the substance 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate (CAS# 93803-89-5). In order to fulfil the standard information requirements set out in Annex VIII, 8.2, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006, read-across from structurally related substances was conducted.
In accordance with Article 13 (1) of Regulation (EC) No 1907/2006, "information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI are met. In particular for human toxicity, information shall be generated whenever possible by means other than vertebrate animal tests", which includes the use of information from structurally related substances (grouping or read-across).
Having regard to the general rules for grouping of substances and read-across approach laid down in Annex XI, Item 1.5, of Regulation (EC) No 1907/2006, whereby toxicological properties may be predicted from data for the reference substance(s) on the basis of structural similarity, the substances listed below are selected as reference substances for assessment of toxicological endpoints, for which information gaps are identified.
Overview for skin and eye irritation/corrosion
CAS |
Skin Irritation/Corrosion |
Eye Irritation/Corrosion |
93803-89-5(a) |
RA: CAS 84418-63-3 RA: CAS 131459-39-7 |
RA: CAS 84418-63-3 RA: CAS 131459-39-7 |
84418-63-3 |
Not irritating |
Not irritating |
131459-39-7 |
Not irritating |
Not irritating |
(a) Substances subject to the REACh Phase-in registration deadline of 31 May 2013 are indicated in bold font. Only for this substance a full set of experimental results and/or read-across is given.
(b) Substance that are either already registered under REACh or not subject to the REACh Phase-in registration deadline of 21 March 2013 are indicated in normal font.
The above mentioned substances are considered to be similar on the basis of structural similarity resulting in similar properties and/or activities. The available endpoint information is used to predict the same endpoints for 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate (CAS# 93803-89-5).
A detailed analogue approach justification is provided in the technical dossier (see IUCLID Section 13).
Discussion
Skin Irritation
Since no studies investigating the skin irritation of 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate (CAS# 93803-89-5) are available, in accordance to Regulation (EC) No. 1907/2006 Annex XI, 1.5 a read-across from the structurally related analogue substances Isononanoic acid, mixed esters with dipentaerythritol, heptanoic acid and pentaerythritol (CAS# 84418-63-3), and 3,5,5-trimethylhexanoic acid mixed tetraesters with pentaerythritol and valeric acid (CAS# 131459-39-7), was conducted.
Skin irritation - Animal Data
Two structurally related analogue substances were tested in vivo on rabbit skin. All study results indicated no skin irritation potential.
CAS 84418-63-3
Isononanoic acid, mixed esters with dipentaerythritol, heptanoic acid and pentaerythritol (CAS# 84418-63-3) was investigated in a primary skin irritation study according to OECD 404 (McCAll, 1991). The shaved left flank of the dorso-lumbar region of 3 New Zealand White rabbits was exposed to 0.5 mL unchanged test material for 4 hours under semi-occlusive conditions. After exposure the skin was cleaned from the residual test substance using warm water. The rabbits were observed for 3 days. Skin reactions were assessed using the Draize scheme approx. 1, 24, 48, 72 hours after removal of the test substance. Very slight erythema was observed in all animals 30- 60 min (2 animals) or 24 h (1 animal) after patch removal. The effects were reversible within 48 h (1 animal) or 72 h (2 animals) respectively. No edema or other irritation was observed.
CAS 131459-39-7
3,5,5-trimethylhexanoic acid mixed tetraesters with pentaerythritol and valeric acid (CAS# 131459-39-7) was tested in a primary skin irritation study performed according to OECD Guideline 404 (Allen, 1992) under GLP conditions. The shaved dorsal skin of three New Zealand rabbits was exposed to 0.5 mL undiluted test material for 4 hours under semi-occlusive conditions. The rabbits were observed for 7 days. Skin reactions were assessed using the Draize scheme approx. 1, 24, 48, 72 hours as well as 7 days after removal of the test substance. Slight to weak erythema and oedema were observed in all three animals during the first 72 h after exposure. Very slight erythema was noted at all treated skin sites at the 24 and 48-hour observations and at two treated skin sites at the 72-hour observation. Very slight edema was noted at all treated skin sites at the 24-hour observation and persisted at two treated skin site at the 48 and 72-hour observations. Very slight edema was noted at all treated skin sites at the 24-hour observation and persisted at two treated skin site at the 48 and 72-hour observations. However signs of skin irritation reversed within 7 days.
Eye irritation
Since no studies investigating the eye irritation of 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate (CAS# 93803-89-5) are available, in accordance to Regulation (EC) No. 1907/2006 Annex XI, 1.5 a read-across from the structurally related analogue substances Isononanoic acid, mixed esters with dipentaerythritol, heptanoic acid and pentaerythritol (CAS# 84418-63-3), and 3,5,5-trimethylhexanoic acid mixed tetraesters with pentaerythritol and valeric acid (CAS# 131459-39-7), was conducted.
CAS 84418-63-3
Isononanoic acid, mixed esters with dipentaerythritol, heptanoic acid and pentaerythritol (CAS# 84418-63-3) was tested for its eye irritation potential according to OECD Guideline 405 (McCall, 1992). 0.1 mL of the undiluted test substance was instilled into the conjunctival sac of three New Zealand White rabbits. The animals were observed for 72 hours. Eye irritation was scored according to the Draize method 2, 24, 48 and 72 hours after application. No corneal or iritial effects were observed. Conjunctival effects included slight redness and slight to moderate discharge. The effects had completely regressed by Day 3. Dried secretions on the upper and lower eyelids were present 1 day after dosing in 1 animal.
CAS 131459-39-7
An acute eye irritation study was performed with 3,5,5-trimethylhexanoic acid mixed tetraesters with pentaerythritol and valeric acid (CAS# 131459-39-7) according to the OECD guideline 405 (Allen, 1999). 0.1 mL of the undiluted test substance was instilled into the conjunctival sac of one eye of 3 New Zealand White rabbits. The animals were observed for 72 hours. Eye irritation was scored according to the Draize method 1, 24, 48 and 72 hours after application. No corneal or irridal effects were noted. Moderate conjunctival irritation was noted in all treated eyes at the 1-hour observation with minimal conjunctival irritation noted in all treated eyes at the 24-hour observation and one treated eye at the 48-hour observation. Treated eyes appeared normal 48 to 72 hours after treatment.
Two acute eye irritation studies have been performed in rabbits in vivo. None of the tested structural analogues showed an eye irritation potential. Therefore, based on a weight of evidence approach, no classification for eye irritation for all substances within the fatty acid methyl esters category is required.
Conclusion for skin and eye irritation
In conclusion, animal studies with structurally related analogue substances Isononanoic acid, mixed esters with dipentaerythritol, heptanoic acid and pentaerythritol (CAS# 84418-63-3), and 3,5,5-trimethylhexanoic acid mixed tetraesters with pentaerythritol and valeric acid (CAS# 131459-39-7), do not give an indication that 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate (CAS# 93803-89-5)is irritating for skin.
Eye irritation potential has assessed with data from the same read-across substances. The in vivo assays did not show an indication of eye irritating potential. Therefore, using structurally related analogue based read-across 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate (CAS#93803-89-5) is not considered to be irritating for eye.
Justification for selection of skin irritation / corrosion endpoint:
Hazard assessment is conducted by means of read-across from structural analogues. All available studies are adequate and reliable based on the identified similarities in structure and intrinsic properties between source and target substances and overall quality assessment (refer to the endpoint discussion for further details).
Justification for selection of eye irritation endpoint:
Hazard assessment is conducted by means of read-across from structural analogues. All available studies are adequate and reliable based on the identified similarities in structure and intrinsic properties between source and target substances and overall quality assessment (refer to the endpoint discussion for further details).
Justification for classification or non-classification
Based on read-across from the structurally similar substances, the available data on skin/eye irritation potential do not meet the classification criteria according to Regulation (EC) 1272/2008 or Directive 67/548/EEC, and are therefore conclusive but not sufficient for classification.
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