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EC number: 907-237-7 | CAS number: -
- 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
Endpoint summary
Administrative data
Description of key information
In the table below the aquatic toxicity data are summarised
Species |
Guideline |
Result in mg/L |
Remarks |
Oncorhynchus mykiss |
Read across |
96h LC50 = 1.45 based on geometric mean measured concentrations |
Key study, Rel. 2 based on read across from Decanal tested in OECD TG 203 |
Daphnia magna |
Read across |
48h EC50 = 1.4, based on mean initial measured concentrations |
Key study, Rel. 2 based on read across from Floral Super tested in OECD TG 202 |
Pseudokirchneriella subcapitata |
Read across |
72h ErC50 = 1.6 72h ErC10 = 0.45, based on average measured exposure concentrations |
Key study, Rel.2 based on read across from Floral Super tested in OECD TG 201 |
Microorganisms |
Read across |
3 hr EC50 = 60 mg/L |
Key study, Rel.2 based on read across from 10-Undecenal tested in OECD TG 209 |
No recalculation of the values from read across substances to Intreleven aldehyde was applied, as this would not result in an impact for the C&L. The original LC50 values of the source substances were therefore maintained.
Additional information
Intreleven aldehyde (CAS58296-81-4; Target) and its aquatic toxicity for freshwater algae and invertebrates using read across information from Floral Super (CAS 71077-31-1; Source)
Introduction and hypothesis for the read across
Intreleven aldehyde is a multi-constituent which consists of the following main constituents: Undec-10-enal, (9E) Undec-9-enal, (9Z) Undec-9-enal and (8E) Undec-8-enal. These constituents are aldehydes with a linear carbon backbone and contain one C=C double bond at various positions ranging from C 8 to 10. For this substance no aquatic toxicity data (algae and Daphnia) are available. Therefore additional information is used in accordance with Article 13 of REACH where it is said that lacking information can be generated whenever possible by means of applying alternative methods such as in vitro tests, SARs, grouping and read-across. For assessing the aquatic toxicity of Intreleven aldehyde to algae and Daphnia, the analogue approach is selected because for one closely related analogue, Floral Super, aquatic toxicity studies are available which can be used for read across.
Hypothesis: Intreleven aldehyde is expected to have similar algae and Daphnia toxicity as its analogue, Floral Super.
Available experimental information: For the structurally related source chemical, Floral Super, both an algae and Daphnia guideline toxicity test are available. The studies are considered reliable (K1) and can be used for assessment purposes. The 48h EC50 for Daphnia was 1.4 mg/L, and for algae the 72h ErC50 and 72h ErC10 were 1.6 and 0.45 mg/L, respectively.
Target and Source chemical(s):
Chemical structures of the target chemical (Intreleven aldehyde) and the source chemical (Floral Super) are shown in the data matrix below, including physico-chemical properties and toxicological information, considered relevant for the aquatic toxicity.
Purity / Impurities:
The known constituents and purity of the target chemical do not indicate properties with regard to algal or daphnid toxicity other than indicated by the source substance.
Analogue justification
According to REACH Annex XI, an analogue approach can be used to replace testing when information from different sources provides sufficient evidence. The result derived should be applicable for C&L and/or risk assessment and be presented with adequate and reliable documentation.
Analogue selection: Floral Super was selected as an analogue, because it has just one carbon more than Intreleven aldehyde and the same functional group. It is a substance from IFF‘s portfolio, for which adequate data on algae and daphnid toxicity are available.
Structural similarities and differences: The target chemical, Intreleven aldehyde (Undec-8-enal) and the source chemical, Floral Super (4,8-dimethyldeca-4,9-dienal) have a similar carbon backbone and have the same functional aldehyde group. The main central backbone of Floral Super is one carbon shorter, but it has one additional methyl group and one additional ethyl group with an unsaturated carbon bond..
Bioavailability: The molecular weights of the target and source are very similar (168.28 and 180.29, respectively). Also the physico-chemical properties of Intreleven aldehyde and Floral Super are very similar: the measured water solubility (26 and 29 mg/L, respectively) and the measured log Kow (both 4.5).
Mode of Action and the prediction of the aquatic toxicity information: The target and source substances are expected to have the same mode of action, because they are both aldehydes.
Remaining uncertainties: There are no remaining uncertainties based on the reasoning presented above. Differences in log Kow and molecular weight values between target and source are insignificant.
Data matrix
The relevant information on physico-chemical properties and toxicological characteristics are presented in the data matrix below.
Final conclusions for aquatic toxicity to freshwater algae and invertebrates
For assessing the acute toxicity for algae and Daphnia and the chronic toxicity for algae a read across is done for Intreleven aldehyde (target) from Floral Super (source). When using read across the result derived should be applicable for C&L and/or risk assessment and be presented with adequate and reliable documentation, which is shown in the present document. The ecotoxicity of Intreleven aldehyde results in a 72h-ErC50 and ErC10 for algae of 1.6 mg/L and 0.45 mg/L respectively and the 48h EC50 for daphnids of 1.4 mg/L. These values can be directly used for Intreleven aldehyde because the differences in logKow and molecular weight are considered insignificant, soconversion is not considered necessary.
Final conclusion on hazard: For Intreleven aldehyde, the 72h-ErC50 and ErC10 for algae and the EC50 for daphnids are 1.6 mg/L, 0.45 mg/L and 1.4 mg/L, respectively.
Data matrix for the read across from Floral Super to Intreleven aldehyde
CHEMICAL NAME |
Intreleven aldehyde (Undec-8-enal) |
Floral Super (4,8-dimethyl-4,9-decadienal) |
Molecular structure |
||
CAS |
58296-81-4 |
71077-31-1 |
REACH registration |
To be registered (Annex VIII) |
Registered (2016) |
Einecs/EC number |
261-202-4 |
275-174-6 |
Molecular formula |
C11H20O |
C12H20O |
Molecular weight |
168.28 |
180.29 |
Physico-chemical properties |
||
Appearances |
Liquid |
Liquid |
Melting point (°C) |
<-20 (IFF, 2016) |
<-20 (IFF, 2014) |
Boiling point (°C) |
239.1 (IFF, 2016) |
242.9 (IFF, 2014) |
Vapour pressure (Pa) |
6.04 (IFF, 2016) |
1.66 (IFF, 2014) |
Water solubility (mg/L) |
26.1 (at 24°C) (IFF, 2016) |
29 (at 22°C) (IFF, 2014) |
LogKow |
4.47 (IFF, 2017) |
4.5 (IFF, 2014) |
Aquatic toxicity |
|
|
Fish 96h LC50 (mg/L) |
1.45 (read across from Decanal) |
Not available |
Daphnia 48h EC50 (mg/L) |
1.4 (read across from Floral Super) |
1.4 |
Algae 72h ErC50 (mg/L) |
1.6 (read across from Floral Super) |
1.6 |
Chronic toxicity |
|
|
Algae 72h ErC10 (mg/L) (measured) |
0.45 (read across from Floral Super) |
0.45 |
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