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EC number: 231-323-7 | CAS number: 7492-66-2
- 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
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- The data is predicted using the OECD QSAR toolbox version 3.3 with logKow as the primary descriptor.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 1,1-diethoxy-3,7-dimethylocta-2,6-diene
- Molecular formula : C14H26O2
- Molecular weight : 226.357
- Smiles notation : C(\C=C(\CC\C=C(/C)C)C)(OCC)OCC
- InChl : 1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11+
- Substance type:Organic
- Physical state: Liquid - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Test temperature:
- 24+/- 1ºC
- pH:
- at the start of test - 7.9 - 8.1
at the end of test - 8.2 - 10.1 - Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 4.892 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The median Effective concentration (EC50) value for 1,1-diethoxy-3,7-dimethylocta-2,6-diene on Desmodesmus subspicatus in a 72 hour study was estimated to be 4.89 mg/L on the basis of effects on growth rate.
- Executive summary:
Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 1,1-diethoxy-3,7-dimethylocta-2,6-diene
(CAS no. 7492 -66 -2). EC50 value was estimated to be 4.89 mg/l for Desmodesmus subspicatus for 72 h duration. Based on this value it can be concluded that the substance 1,1 -diethoxy-3,7 -dimethylocta-2,6 -diene is considered to be toxic to aquatic environment and can be considered to be classified in aquatic chronic category 2 as per the CLP classification criteria.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((((("a"
or "b" or "c" or "d" or "e" )
and "f" )
and ("g"
and (
not "h")
)
)
and "i" )
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and ("p"
and "q" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Neutral Organics by US-EPA New
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Acetal OR Alkene OR Alkoxy OR
Allyl OR Ether by Organic Functional groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acetal OR Alkoxy OR Allyl OR
Overlapping groups by Organic Functional groups (nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] OR
Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Alpha-diether
[C-O-C-O-C] OR Olefinic carbon [=CH- or =C<] OR Oxygen, aliphatic attach
[-O-] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Dialkylether AND Ether by
Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
by Estrogen Receptor Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, MW>500 OR Non binder, without OH or NH2 group OR
Weak binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Class 1 (narcosis or baseline
toxicity) by Acute aquatic toxicity classification by Verhaar (Modified)
ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No alert found by in vivo
mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as H-acceptor-path3-H-acceptor by
in vivo mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Not known precedent reproductive
and developmental toxic potential by DART scheme v.1.0
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Beta alkyl substituted alcohols-
sub category (25b) OR C1 to C4 non-branched alkyl alcohols- sub category
(25a) OR Known precedent reproductive and developmental toxic potential
OR Multi-halogenated alkyl ethers (23b) by DART scheme v.1.0
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as No alert found by
Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Structural alert for
nongenotoxic carcinogenicity OR Substituted n-alkylcarboxylic acids
(Nongenotox) by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 3.22
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 5.19
Description of key information
Using the OECD QSAR toolbox version 3.3 (2017) with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 1,1-diethoxy-3,7-dimethylocta-2,6-diene (CAS no. 7492 -66 -2). EC50 value was estimated to be 4.89 mg/l for Desmodesmus subspicatus for 72 h duration. Based on this value it can be concluded that the substance 1,1 -diethoxy-3,7 -dimethylocta-2,6 -diene is considered to be toxic to aquatic environment and can be considered to be classified in aquatic chronic category 2 as per the CLP classification criteria.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 4.89 mg/L
Additional information
Predicted data for the target chemical 1,1-diethoxy-3,7-dimethylocta-2,6-diene(CAS No. 7492-66-2) and various weight of evidence studies for its closest read across substance with logKow as the primary descriptorwere reviewed to summarize the following information:
Short term toxicity on aquatic algae and cyanobacteria of target chemical1,1-diethoxy-3,7-dimethylocta-2,6-diene(CAS No. 7492-66-2) is predicted using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances (2017).EC50 value was estimated to be 4.89 mg/l for Desmodesmus subspicatus for 72 h duration. Based on this value it can be concluded that the substance 1,1 -diethoxy-3,7 -dimethylocta-2,6 -diene is considered to be toxic to aquatic environment and can be considered to be classified in aquatic chronic category 2 as per the CLP classification criteria.
In a weight of evidence study from secondary source (HPVIS, 2016) of the read across chemical 1,1 -methyldodecan-1 -ol (CAS no. 68526 -86 -3),short term toxicity to Pseudokirchnerella subcapitata (green algae) study was carried out for 72 hrs. The study was performed according to OECD Guideline 201 (Alga, Growth Inhibition Test). The study was based on the effects of the read across compound 11 -methyldodecan-1 -ol (CAS no. 68526 -86 -3) on Pseudokirchnerella subcapitata in a static fresh water system under a continuous illumination with a light intensity of 7600 to 7800 Lux., at a temperature of 23.1°C, pH ranges from 6.8 to 7.4 respectively. Pseudokirchnerella subcapitata was used as a test organism. Test chemical concentration used for the study was0,1.5, 3.0, 8.0, 20 and 61mg/L (nominal concentration) and1.5, 2.2, 2.2, 2.5, 3.0 mg/l (measured concentration), respectively. Individual Water Accomodated Fractions (WAFs) were prepared for each test treatment. The test substance was added volumetrically, via a syringe, to 2L of dilution water in a 2L glass bottle. The solution was mixed for 23 hours at a vortex of 8% of the total depth. Mixing temperature was approximately 23 Deg C. After a 1 hour settling/cooling period, the aqueous portions were transferred to the test chambers via the port at the bottom of the mixing vessel and used for testing. Test vessels were 125 ml glass Erlenmeyer flasks that were filled with approximately 60 ml of treatment solution and inoculated with algae. Samples were taken daily for cell counts. Four replicates were prepared for each treatment level. The initial algal concentration was 1.0 x 104cells/ml. All test replicates were placed on a shaker table at 100 oscillations per minute during the study. Biomass was calculated as the area under the growth curve. Based on effect on growth rate of the test organism Pseudokirchnerella subcapitata, the 72 hr NOEC and EC50 value was determined to be 2.2 and 3.2 mg/l and on the basis of effect on biomass, the 72 hr NOEC and EC50 value was determined to be 1.5 and 2.6 mg/l, respectively. Thus, based on the EC50 value, it can be concluded that the substance 11 -methyldodecan-1 -ol can be considered as toxic to aquatic organisms and thus can be considered to be classified in aquatic chronic category 2 as per the CLP classification criteria.
Another short term toxicity to algae study was carried out for 72 hrs (OECD SIDS, 2006). The study was based on the effects of the read across compound 7 -methyloctan-1 -ol (CAS no. 27458-94-2) on algae in a static fresh water system. After 72 hours of exposure to 7 -methyloctan-1 -ol, the EC50 value was determined to be ranges from 1.6 to 19.0 mg/l. Thus, based on the EC50 value (1.6 mg/l), it can be concluded that the substance 7 -methyloctan-1 -ol can be considered as toxic to algae at environmentally relevant concentrations and can be considered to be classified in aquatic chronic category 2 as per the CLP classification criteria.
Thus, based on the overall reported results for target chemical1,1-diethoxy-3,7-dimethylocta-2,6-diene(OECD QSAR toolbox version 3.3, 2017) and for its read across substance (fromsecondary source HPVIS and OECD SIDS),it can be concluded that the test substance 1,1 -diethoxy-3,7 -dimethylocta-2,6 -diene can be considered as toxic to aquatic environment and can be considered to be classified in aquatic chronic category 2 as per the CLP classification criteria.
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