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EC number: 215-656-5 | CAS number: 1337-83-3
- 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
Key value for chemical safety assessment
Genetic toxicity in vitro
Description of key information
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- Remarks:
- Type of genotoxicity: gene mutation
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
- Target gene:
- No data
- Species / strain / cell type:
- S. typhimurium TA 100
- Details on mammalian cell type (if applicable):
- Not applicable
- Additional strain / cell type characteristics:
- not specified
- Metabolic activation:
- with
- Metabolic activation system:
- S9 activation system
- Test concentrations with justification for top dose:
- No data
- Vehicle / solvent:
- No data
- Details on test system and experimental conditions:
- No data
- Evaluation criteria:
- No data
- Statistics:
- No data
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- with
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- not specified
- Untreated negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Additional information on results:
- No data
- Remarks on result:
- other: strain/cell type:
- Remarks:
- Migrated from field 'Test system'.
- Conclusions:
- Interpretation of results (migrated information):
negative
The test material undecenal (CAS no 1337 -83 -3) is not mutagenic in vitro in Salmonella typhimurium strain TA100 with S9 metabolic activation system. - Executive summary:
Gene mutation was predicted using SSS QSAR prediction model, 2016. The study used Salmonella typhimurium TA100 strain and S9 metabolic activation system. The test material undecenal (CAS no 1337 -83 -3) is not mutagenic in vitro in Salmonella typhimurium strain TA100 with S9 metabolic activation system and hence is not likely to classify for gene mutaion in vitro.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Gene mutation"
Estimation method: Takes highest mode value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and "g" )
and ("h"
and (
not "i")
)
)
and "j" )
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and "o" )
and "p" )
and ("q"
and (
not "r")
)
)
and ("s"
and "t" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aldehydes (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alkene AND Allyl AND Alpha,beta
unsaturated aldehyde by Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Allyl AND Alpha,beta unsaturated
aldehyde AND Overlapping groups by Organic Functional groups (nested)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Carbonyl,
olefinic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O)
AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Michael addition AND Michael
addition >> Polarised Alkenes AND Michael addition >> Polarised Alkenes
>> Polarised alkene - aldehydes AND Schiff Base Formers AND Schiff Base
Formers >> Direct Acting Schiff Base Formers AND Schiff Base Formers >>
Direct Acting Schiff Base Formers >> Mono-carbonyls by Protein binding
by OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
Acylation Involving a Leaving group OR Acylation >> Direct Acylation
Involving a Leaving group >> Acetates OR Acylation >> Direct Acylation
Involving a Leaving group >> Acyl halides (including benzyl and
carbamoyl deriv.) OR Acylation >> Direct Acylation Involving a Leaving
group >> Anhydrides OR Acylation >> Direct Acylation Involving a Leaving
group >> Azlactone OR Acylation >> Direct Acylation Involving a Leaving
group >> Sulphonyl halides OR Acylation >> Isocyanates and Related
Chemicals OR Acylation >> Isocyanates and Related Chemicals >>
Isocyanates OR Acylation >> Isocyanates and Related Chemicals >>
Thiocyanates-Acylation OR Acylation >> Ring Opening Acylation OR
Acylation >> Ring Opening Acylation >> alpha-Lactams OR Michael addition
>> Acid imides OR Michael addition >> Acid imides >> Acid imides-MA OR
Michael addition >> Polarised Alkenes >> Polarised alkene - amides OR
Michael addition >> Polarised Alkenes >> Polarised alkene - cyano OR
Michael addition >> Polarised Alkenes >> Polarised alkene - esters OR
Michael addition >> Polarised Alkenes >> Polarised alkene - ketones OR
Michael addition >> Polarised Alkenes >> Polarised alkene - nitro OR
Michael addition >> Polarised Alkenes >> Polarised alkene - pyridines OR
Michael addition >> Polarised Alkynes OR Michael addition >> Polarised
Alkynes >> Polarised alkyne - aldehyde OR Michael addition >> Polarised
Alkynes >> Polarised alkyne - pyridine OR Michael addition >> Quinones
and Quinone-type Chemicals OR Michael addition >> Quinones and
Quinone-type Chemicals >> Benzoquinones OR Michael addition >> Quinones
and Quinone-type Chemicals >> Pyranones (and related nitrogen chemicals)
OR Michael addition >> Quinones and Quinone-type Chemicals >>
Quinone-diimine OR Michael addition >> Quinones and Quinone-type
Chemicals >> Quinone-imine OR Michael addition >> Quinones and
Quinone-type Chemicals >> Quinone-methides OR No alert found OR Schiff
Base Formers >> Direct Acting Schiff Base Formers >> 1-2-Dicarbonyls OR
Schiff Base Formers >> Direct Acting Schiff Base Formers >>
1-3-Dicarbonyls OR Schiff Base Formers >> Direct Acting Schiff Base
Formers >> Di-substituted alpha, beta-unsaturated aldehydes OR SN2 OR
SN2 >> Episulfonium Ion Formation OR SN2 >> Episulfonium Ion Formation
>> 1,2-Dihaloalkane OR SN2 >> Episulfonium Ion Formation >> Mustards OR
SN2 >> Epoxides and Related Chemicals OR SN2 >> Epoxides and Related
Chemicals >> Aziridines OR SN2 >> Epoxides and Related Chemicals >>
Epoxides OR SN2 >> SN2 reaction at a halo atom OR SN2 >> SN2 reaction at
a halo atom >> N-haloimides OR SN2 >> SN2 reaction at a nitrogen atom OR
SN2 >> SN2 reaction at a nitrogen atom >> N-Acetoxy-N-acetyl-phenyl OR
SN2 >> SN2 reaction at a nitrogen atom >> N-Acyloxy-N-alkoxyamides OR
SN2 >> SN2 reaction at a nitrogen atom >> Nitrosoureas (nitrogen) OR SN2
>> SN2 reaction at a sp2 carbon atom OR SN2 >> SN2 reaction at a sp2
carbon atom >> Polarised alkenes with a halogen leaving group OR SN2 >>
SN2 reaction at a sp2 carbon atom >> Polarised alkenes with a phosphate
leaving group OR SN2 >> SN2 reaction at a sp2 carbon atom >> Polarised
alkenes with a tiophosphate leaving group OR SN2 >> SN2 reaction at a
sulphur atom OR SN2 >> SN2 reaction at a sulphur atom >> Disulfides OR
SN2 >> SN2 reaction at a sulphur atom >> Isothiazol-3-ones (sulphur) OR
SN2 >> SN2 reaction at a sulphur atom >> Thiocyanates-SN2 OR SN2 >> SN2
reaction at a sulphur atom >> Thiols OR SN2 >> SN2 reaction at sp3
carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Alkyl diazo OR
SN2 >> SN2 reaction at sp3 carbon atom >> Alkyl halides OR SN2 >> SN2
reaction at sp3 carbon atom >> Allyl acetates and related chemicals OR
SN2 >> SN2 reaction at sp3 carbon atom >> alpha-Halo ethers OR SN2 >>
SN2 reaction at sp3 carbon atom >> alpha-Haloalkenes (and related cyano,
sulfate and sulfonate subs. chem.) OR SN2 >> SN2 reaction at sp3 carbon
atom >> alpha-Halobenzyls (and related cyano, sulfate and sulphonate
subs. chem.) OR SN2 >> SN2 reaction at sp3 carbon atom >>
alpha-Halocarbonyls OR SN2 >> SN2 reaction at sp3 carbon atom >>
beta-Halo ethers OR SN2 >> SN2 reaction at sp3 carbon atom >>
Nitrosoureas (carbon) OR SN2 >> SN2 reaction at sp3 carbon atom >>
Phosphates OR SN2 >> SN2 reaction at sp3 carbon atom >> Phosphonates OR
SN2 >> SN2 reaction at sp3 carbon atom >> Sulfonates OR SN2 >> SN2
reaction at sp3 carbon atom >> Thiophosphates OR SNAr OR SNAr >>
Nucleophilic aromatic substitution OR SNAr >> Nucleophilic aromatic
substitution >> Activated halo-benzenes OR SNAr >> Nucleophilic aromatic
substitution >> Activated halo-pyridines OR SNAr >> Nucleophilic
aromatic substitution >> Halo-pyrimidines OR SNAr >> Nucleophilic
aromatic substitution >> Halo-triazines by Protein binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as No alert found by Respiratory
sensitisation
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Pro-Michael Addition OR
Pro-Michael Addition >> Pro-quinone and related OR Pro-Michael Addition
>> Pro-quinone and related >> Hydroquinones OR Schiff base formation OR
Schiff base formation >> Cross linking Schiff bases OR Schiff base
formation >> Cross linking Schiff bases >> Di-aldehydes OR Schiff base
formation >> Cross linking Schiff bases >> Formaldehyde by Respiratory
sensitisation
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Halogens by Groups of elements
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 16
- Oxygen O by Chemical elements
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Group 15 - Nitrogen N OR Group
16 - Sulfur S by Chemical elements
Domain
logical expression index: "o"
Similarity
boundary:Target:
CCCCCCCCC=CC=O
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "p"
Similarity
boundary:Target:
CCCCCCCCC=CC=O
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as No alert found by DNA alerts for
AMES, MN and CA by OASIS v.1.3
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Nucleophilic
addition to alpha, beta-unsaturated carbonyl compounds OR AN2 >>
Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds >>
Alpha,Beta-Unsaturated Aldehydes OR AN2 >> Schiff base formation OR AN2
>> Schiff base formation >> Alpha,Beta-Unsaturated Aldehydes OR SN1 OR
SN1 >> Alkylation after metabolically formed carbenium ion species OR
SN1 >> Alkylation after metabolically formed carbenium ion species >>
Polycyclic Aromatic Hydrocarbon Derivatives OR SN2 OR SN2 >> Alkylation,
direct acting epoxides and related after P450-mediated metabolic
activation OR SN2 >> Alkylation, direct acting epoxides and related
after P450-mediated metabolic activation >> Polycyclic Aromatic
Hydrocarbon Derivatives by DNA alerts for AMES, MN and CA by OASIS v.1.3
Domain
logical expression index: "s"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 3.27
Domain
logical expression index: "t"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.43
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Additional information
Prediction model based estimation and data from read across were viewed to determine the mutagenic nature of the test compound Undecenal (CAS no 1337-83-3). The studies are summarized as below:
Gene mutation was predicted using SSS QSAR prediction model, 2016. The study used Salmonella typhimurium TA100 strain and S9 metabolic activation system. The test material undecenal (CAS no 1337 -83 -3) is not mutagenic in vitro in Salmonella typhimurium strain TA100 with S9 metabolic activation system and hence is not likely to classify for gene mutaion in vitro.
Gene mutation was predicted using SSS QSAR prediction model, 2016. The study used Salmonella typhimurium TA103 strain and without S9 metabolic activation system. The test material undecenal (CAS no 1337 -83 -3) is not mutagenic in vitro in Salmonella typhimurium strain TA103 without S9 metabolic activation system and hence is not likely to classify for gene mutaion in vitro.
Prediction model based estimation for gene mutation was done using Danish QSAR prediction database (2016). The test substance, undecenal (CAS no 1337-83-3), was estimated to be negative for gene mutation in an Ames test on S. typhimurium TA 1535, TA 1537, TA 98 and TA 100. Thus it can be concluded that the substance undecenal has negative genetic toxicity effects.
Prediction model based estimation for gene mutation was done using Danish QSAR prediction database (2016). The test substance, undecenal (CAS no 1337-83-3), was estimated to be negative for chromosome aberration in Chinese Hamster Lung (CHL) Cells. The chemical is not likely to classify as a gene mutant.
In a bacterial gene mutation assay by Marnett (1985),SalmonellaTA104 was tested for mutagenicity by using 2-Nonenal (RA CAS no 2463-53-8) in DMSO or water. 2-Nonenal were added in overnight culture of the bacterial strain to a final volume of 0.5 ml. Glutathione, 50 μl of a 0.1 M solution (in 0.2 M sodium phosphate buffer pH 7.4) was added to the reaction tubes at the end of the preincubation period. After incubation, 2 ml of molten top agar containing histidine and biotin was added to each tube; the mixture was plated on minimal glucose and observed for number of revertants. 2-Nonenal failed to induce reversion in the strain and was considered to be negative for gene mutation whenSalmonellaTA104 was tested for mutagenicity.
In a bacterial gene mutation assay by Canonero (1990), Chinese hamster lung cell line V79 was tested for mutagenicity by using Non-2-enal (RA CAS no 2463-53-8) viable cells in cultures without S9 metabolic activation. Ethyl methanesulfonate (EMS) were used as a positive control. 20 dishes/dose of Non-2-enal were seeded with 2x 105cells/dish. Ouabain (OUA) (1 mM final concentration) was added 3 days after seeding. The number of mutant colonies was determined 17 days later. No response to both the HGPRT and the Na/K ATPase locus was observed at 0.010 mMNon-2-enalas compared to positive control. Therefore,Non-2-enal was considered to be non- genetoxic when Chinese hamster lung cell line V79 was used.
An in vitro mammalian cell gene mutation study was designed and conducted to determine the genotoxicity profile of Undecylenic aldehyde (RA CAS No. 112-45-8) when administered to Chinese Hamster Ovary (CHO) cells (Sustainability support services, 2015).In the genotoxicity test, Undecylenic aldehyde was administered to CHO cells for 3 hrs at the dose levels of 0.5, 1.0, 2.5 or 5.0 mM and in the absence or presence of exogenous metabolic activation. Only the positive control 7,12-dimethylbenz(a) anthracene gave an indication of gene mutations occurring while no other treatment gave rise to gene toxicity. When the mutation frequency was determined, a frequency of -2.67 x 10-4was shown after a 3 hour exposure of 7,12-dimethylbenz(a) anthracene as the positive control in the presence of S9 liver microsomal fraction. Since no other tested concentration of Undecylenic aldehyde, in the absence or presence of S9 liver microsomal fraction, resulted in colonies, it can be concluded that Undecylenic aldehyde does not give rise to gene mutations when CHO cells are exposedin vitroto the test chemical at 0, 0.5, 1.0, 2.5 or 5.0 mM for 3 hrs.
In an in vitro gene toxicity study by Florin (1980), the genotoxic effects of Undecanal (RA CAS no 112-44-7) were evaluated with Salmonella typhimurium LT-2 strains TA98, TA100, TA1535 and TA1537. The bacterial strains were exposed to test chemical at a concentration of 3 µmole/plate with and without S9 metabolic activation system. The results showed that Undecanal did not induce reversion of mutant strains and hence is not mutagenic in the bacterium Salmonella typhimurium LT-2 strains TA 98, TA 100, TA 1535 and TA 1537 with and without S9 metabolic activation system.
Based on the available data, it can be concluded that the test chemical (Undecenal, CAS no 1337 -83 -3) is not likely to be mutagenic in vitro.
Justification for selection of genetic toxicity endpoint
Data is obtained from predicted database
Justification for classification or non-classification
Based on the weight of evidence data available, it can be concluded that the test chemical (Undecenal, CAS no 1337 -83 -3) is not likely to be a gene mutagen in vitro.
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