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EC number: 931-324-9 | CAS number: 866889-72-7
Endpoint summary
Administrative data
Description of key information
Key study: Read-across from experimental data on the analogue CAS No. 68155-09-9. Test according to OECD guideline 407 and EU guideline B.7. GLP study. The NOEL was considered to be 15 mg/kg/day (28-day oral toxicity study in rats).
Key study. Read-across from experimental data on the analogue Amides, C12-C18 (even numbered), N-[3-dimethylamino) propyl],N’-oxides. Test according to OECD guideline 408. GLP study. The NOAEL was considered to be 50 mg/kg/day (90-day oral toxicity study in rats).
Key value for chemical safety assessment
Repeated dose toxicity: via oral route - systemic effects
Link to relevant study records
- 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.
- Reason / purpose for cross-reference:
- reference to other study
- Principles of method if other than guideline:
- Read-across approach from experimental data on an analogue.
- GLP compliance:
- yes
- Limit test:
- no
- 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.
- Critical effects observed:
- not specified
- 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.
Reference
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
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Source chemical
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Target chemical
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CHEMICAL NAME
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Amides, C12-C18 (even numbered), N-[3-(dimethylamino) propyl], N´-oxides |
Amides, C12-C14 (even numbered), N-[3-(dimethylamino) propyl], N´-oxides |
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PHYSICO-CHEMICAL DATA
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Melting Point |
Experimental results: 292 ± 0.5 K to 399 ± 0.5 K |
Experimental results: 104.3 -
|
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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.
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pKa |
No data
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Estimated data: pka = 15.91 ±(most acidic temperature) pka = 4.7 ±(most basic temperature)
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Partition Coefficient (log Kow) |
No data |
Experimental results: -0.06
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Water solubility
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Experimental results: Miscible in all proportions with water at 20.0 ±
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Experimental results: 346.9 ± 1.7 g/l at 20.0 ±
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Vapour pressure |
Experimental results: < 3.3 x 10-4Pa at
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Experimental results: Read-across < 3.-4Pa at |
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ENVIRONMENTAL FATE and PATHWAY
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Aerobic Biodegradation
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Experimental results: Readily biodegradable
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Experimental results: Readily biodegradable
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ENVIRONMENTAL TOXICITY
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Acute Toxicity to Fish |
Experimental data: Key study: LC50 (96hr): 0.75 mg/l
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Experimental data: Key study: LC50 (96 h) = 18 mg/l
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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 |
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Toxicity to Aquatic algae and cyanobacteria
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Experimental data: Key study: EC50 (72hr): 4.5 mg/l
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Experimental data: Key study: EC50 (72 h) = 3.4 mg /l |
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MAMMALIAN TOXICITY
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Acute Toxicity: Oral |
Experimental data: Key study: LD50 = 500 – 1000 mg/kg
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Experimental data: Key study LD50 = 300-2000 mg/kg Key study LD50 > 660 mg/kg
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Acute Toxicity: Dermal |
Experimental data: Key study: LD50 > 2000 mg/kg |
Experimental data: Read-across LD50 > 2000 mg/kg
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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.
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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.
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Eye irritation
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Experimental data: Key study: Irritating
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Experimental data: Read-across Irritating
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Skin sensitisation
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Experimental data: Key study: Non-sensitiser
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Experimental data: Read-across Non-sensitiser
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Repeated Dose Toxicity |
Experimental data: Key study:
NOEL = 15 mg/kg/day
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Experimental data: Read-across NOAEL (90 d) = 50 mg/kg/day NOEL (28 d) = 15 mg/kg/day
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Genetic Toxicity in vitro
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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.
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Experimental results: Read-across
The substance did not induce chromosomal aberrations.
|
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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.
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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.
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Toxicity to reproduction
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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.
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Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- NOAEL
- 50 mg/kg bw/day
- Study duration:
- subchronic
- Species:
- rat
- Quality of whole database:
- The key study is of high quality with Klimisch score = 2, since read-across from a GLP compliant and Klimisch score = 1 study.
Additional information
Key study: Read-across from experimental data on the analogue Amides, C12-C18 (even numbered), N-[3 -dimethylamino) propyl],N’-oxides. Test according to OECD guideline 408 (Repeated dose 90 -Day oral toxicity in rodents). GLP study.
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.
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.
Key study: Read-across from experimental data on the analogue CAS No. 68155-09-9. Test according to OECD guideline 407 and EU guideline B.7 (28 -day oral toxicity study in rats).
Based on company experimental data (reported under the endpoint record Repeated dose toxicity: oral_56) on the analogue CAS No. 68155-09-9, the read-across approach is applied and the NOEL for the substance Amides, C12-14 (even numbered), N-[3-(dimethylamino)propyl], N'-oxides is 15 mg/kg bw/day.
The analogue CAS No. 68155-09-9 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.
Cocamidopropylamine Oxide (CAS 68155-09-9) where R=C8-C18, is a tertiary amine oxide where RCO- represents the fatty acids from coconut oil. Coconut oil contains predominantly medium chain triglycerides with roughly 92% saturated fatty acids, 6% monounsaturated fatty acids, and 2% polyunsaturated fatty acids. Of the saturated fatty acids, coconut oil is primarily 44.6% lauric acid, 16.8% myristic acid, 8.2% palmitic acid, 8% caprylic acid, and other seven different saturated fatty acids in small amount. Its only monounsaturated fatty acid is oleic acid while its only polyunsaturated fatty acid is linoleic acid.
Therefore, the source chemical and the target chemical share the following functional groups:
a.- N-Oxide functionality
b.- Amide group
For the source substance, in the chemical structure, the R is substituted by C8-C18 and for the target substance the R is substituted by C12-C14.
Justification for selection of repeated dose toxicity via oral route - systemic effects endpoint:
The study with the longest duration (90 days) was chosen (key study).
Justification for classification or non-classification
Based on the available data on repeated dose toxicity study, the substance is not classified for STOT RE.
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