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EC number: 931-324-9 | CAS number: 866889-72-7
- 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
Repeated dose toxicity: oral
Administrative data
- Endpoint:
- sub-chronic toxicity: oral
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The analogue which shares the same functional group also has comparable values for the relevant molecular properties.
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- other: read-across
- Title:
- Unnamed
- Year:
- 2 014
Materials and methods
- Principles of method if other than guideline:
- Read-across approach from experimental data on an analogue.
- GLP compliance:
- yes
- Limit test:
- no
Test material
- Reference substance name:
- Amides, C12-C18 (even numbered), N-[3- dimethylamino) propyl],N’- oxides
- IUPAC Name:
- Amides, C12-C18 (even numbered), N-[3- dimethylamino) propyl],N’- oxides
- Details on test material:
- - Physical state: clear liquid
- Analytical purity: 35.6%
Constituent 1
Results and discussion
Effect levels
- Dose descriptor:
- NOAEL
- Effect level:
- 50 mg/kg bw/day (actual dose received)
- Based on:
- act. ingr.
- Sex:
- male/female
- Basis for effect level:
- other: Changes in the (fore)stomach, urinary bladder and red blood cell parameters at 500 mg/kg/day and the changes in the (fore)stomach at 150 mg/kg/day.
Target system / organ toxicity
- Critical effects observed:
- not specified
Any other information on results incl. tables
The analogue Amides, C12-C18 (even numbered), N-[3-(dimethylamino) propyl], N´-oxides which shares the same functional groups with the substance Amides, C12-C14 (even numbered), N-[3-(dimethylamino) propyl], N´-oxides, also has comparable values for the relevant molecular properties.
Amides, C12-C18 (even numbered), N-[3-(dimethylamino) propyl], N´-oxides where Alkyl chain=C8-C18,is a tertiary amine oxide where RCO- represents the fatty acids.The chemical contains the following carbon chain distribution:
C8 |
<10 % |
C10 |
<10 % |
C12 |
40-65 % |
C14 |
10-26 % |
C16 |
6-14 % |
C18 |
2-24 % |
Therefore, the source chemical and the target chemical shares the following functional groups:
a.- N-Oxide functionality
b.- Amide group
For the source substance, in the chemical structure, the RCO- is substituted by C8-C18 (predominantly C12 and C14, about 60-70% of the total) and for the target substance the RCO- is substituted by C12-C14.
Based on company experimental data (reported under the endpoint record Repeated dose toxicity: oral 90 days) on the analogue Amides, C12 -18 (even numbered), N-[3 -(dimethylamino) propyl], N'-oxides, the read-across approach is applied and the NOAEL for the substance Amides, C12-14 (even numbered), N-[3-(dimethylamino)propyl], N'-oxides is 50 mg/kg bw/day.
DATA MATRIX read-across (any other information on results, including tables).
CAS Number
|
Source chemical
|
Target chemical
|
|
CHEMICAL NAME
|
Amides, C12-C18 (even numbered), N-[3-(dimethylamino) propyl], N´-oxides |
Amides, C12-C14 (even numbered), N-[3-(dimethylamino) propyl], N´-oxides |
|
PHYSICO-CHEMICAL DATA
|
|||
Melting Point |
Experimental results: 292 ± 0.5 K to 399 ± 0.5 K |
Experimental results: 104.3 -
|
|
Boiling Point |
Experimental results: Decomposes from approximately 403 ± 0.5 K at 100.92 kPa prior to any boiling.
|
Experimental results: The substance decomposes before boiling.
|
|
pKa |
No data
|
Estimated data: pka = 15.91 ±(most acidic temperature) pka = 4.7 ±(most basic temperature)
|
|
Partition Coefficient (log Kow) |
No data |
Experimental results: -0.06
|
|
Water solubility
|
Experimental results: Miscible in all proportions with water at 20.0 ±
|
Experimental results: 346.9 ± 1.7 g/l at 20.0 ±
|
|
Vapour pressure |
Experimental results: < 3.3 x 10-4Pa at
|
Experimental results: Read-across < 3.-4Pa at |
|
ENVIRONMENTAL FATE and PATHWAY
|
|||
Aerobic Biodegradation
|
Experimental results: Readily biodegradable
|
Experimental results: Readily biodegradable
|
|
ENVIRONMENTAL TOXICITY
|
|||
Acute Toxicity to Fish |
Experimental data: Key study: LC50 (96hr): 0.75 mg/l
|
Experimental data: Key study: LC50 (96 h) = 18 mg/l
|
|
Acute Toxicity to Aquatic Invertebrates |
Experimental data: Key study: EC50 (48hr): 0.96 mg/l
|
Experimental data: Key study: EC50 (48 h) = 16 mg/l |
|
Toxicity to Aquatic algae and cyanobacteria
|
Experimental data: Key study: EC50 (72hr): 4.5 mg/l
|
Experimental data: Key study: EC50 (72 h) = 3.4 mg /l |
|
MAMMALIAN TOXICITY
|
|||
Acute Toxicity: Oral |
Experimental data: Key study: LD50 = 500 – 1000 mg/kg
|
Experimental data: Key study LD50 = 300-2000 mg/kg Key study LD50 > 660 mg/kg
|
|
Acute Toxicity: Dermal |
Experimental data: Key study: LD50 > 2000 mg/kg |
Experimental data: Read-across LD50 > 2000 mg/kg
|
|
Skin irritation |
Experimental data: Key study: The substance is classified as irritating according to Directive 67/548/EEC. However, based on the scores, the substance is not classified according to CLP Regulation.
Since the tested substance had a purity/concentration of 79% and since no data is available on the pure substance, taking into account the worst case, the proposal is to classify the substance as a Skin Irritant according to CLP Regulation.
|
Experimental data: Read-across Since the tested substance had a purity/concentration of 79% and since no data is available on the pure substance, taking into account the worst case, the proposal is to classify the substance as a Skin Irritant according to CLP Regulation.
|
|
Eye irritation
|
Experimental data: Key study: Irritating
|
Experimental data: Read-across Irritating
|
|
Skin sensitisation
|
Experimental data: Key study: Non-sensitiser
|
Experimental data: Read-across Non-sensitiser
|
|
Repeated Dose Toxicity |
Experimental data: Key study:
NOEL = 15 mg/kg/day
|
Experimental data: Read-across NOAEL (90 d) = 50 mg/kg/day NOEL (28 d) = 15 mg/kg/day
|
|
Genetic Toxicity in vitro
|
Gene mutation in bacteria |
Experimental results: Key study:
Non- mutagenic in Salmonella typhimurium TA100, TA98, TA1535, TA1537 and Escherichia coli WP2 uvrA. |
Experimental results: Read-across
Non- mutagenic in Salmonella typhimurium TA100, TA98, TA1535, TA1537 and Escherichia coli WP2 uvrA. |
Chromosomal aberrations |
Experimental results: Key study:
The substance did not induce chromosomal aberrations.
|
Experimental results: Read-across
The substance did not induce chromosomal aberrations.
|
|
Gene mutation in mammalian cells |
Experimental results: Key study:
The substance did not induce any toxicologically significant increases in the mutant frequency at the TK +/- locus in L5178Y cells and is therefore considered to be non-mutagenic.
|
Experimental results: Read-across
The substance did not induce any toxicologically significant increases in the mutant frequency at the TK +/- locus in L5178Y cells and is therefore considered to be non-mutagenic.
|
|
Toxicity to reproduction
|
Experimental results: Key study: Reproduction/Developmental toxicity screening test The NOEL for both systemic and reproductive toxicity was considered to be 100 mg/kg/day (highest tested dose). |
Experimental results: Read-across
The NOEL for both systemic and reproductive toxicity was considered to be 100 mg/kg/day.
|
Applicant's summary and conclusion
- Conclusions:
- The "No Observed Effect Level" (NOAEL) was considered to be 50 mg/kg/day.
- Executive summary:
The analogue Amides, C12-C18 (even numbered), N-[3-(dimethylamino) propyl], N´-oxides which shares the same functional groups with the substance Amides, C12-C14 (even numbered), N-[3-(dimethylamino) propyl], N´-oxides, also has comparable values for the relevant molecular properties.
Based on company experimental data (reported under the endpoint record Repeated dose toxicity: oral 90 days) on the analogue Amides, C12 -18 (even numbered), N-[3 -(dimethylamino) propyl], N'-oxides, the read-across approach is applied and the NOAEL for the substance Amides, C12-14 (even numbered), N-[3-(dimethylamino)propyl], N'-oxides is 50 mg/kg bw/day.
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