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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
Endpoint summary
Administrative data
Description of key information
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- 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 (incl. QA statement)
- Type of study:
- guinea pig maximisation test
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- test chemical
- Dose level:
- 5 %
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Clinical observations:
- No erythema, no oedema or other reactions were noted.
- Remarks on result:
- other: Reading: 1st reading. . Hours after challenge: 24.0. Group: test group. Dose level: 5 %. No with. + reactions: 0.0. Total no. in groups: 20.0. Clinical observations: No erythema, no oedema or other reactions were noted. .
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- test chemical
- Dose level:
- 5 %
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Clinical observations:
- No ertythema, no oedema or other reactions were noted.
- Remarks on result:
- other: Reading: 2nd reading. . Hours after challenge: 48.0. Group: test group. Dose level: 5 %. No with. + reactions: 0.0. Total no. in groups: 20.0. Clinical observations: No ertythema, no oedema or other reactions were noted. .
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The test substance produced a 0% sensitisation rate to guinea pig skin.
- Executive summary:
The analogue CAS No. 68155-09-9 which shares the same functional group with the substance Amides, C12-14 (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 Skin sensitisation_57) on the analogue CAS No. 68155-09-9, the read-across approach is applied and the substance Amides, C12-14 (even numbered), N-[3-(dimethylamino)propyl], N'-oxides is considered to be not sensitising.
Reference
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.
Based on company experimental data (reported under the endpoint record Skin sensitisation_57) on the analogue CAS No. 68155-09-9, the read-across approach is applied and the substance Amides, C12-14 (even numbered), N-[3-(dimethylamino)propyl], N'-oxides is considered to be not sensitising.
DATA MATRIX read-across (any other information on results, including tables).
CAS Number
|
Source chemical 68155-09-9 |
Target chemical
|
|
CHEMICAL NAME
|
Amides, coco, 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.
|
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Key study: Read-across from experimental data on the analogue CAS No. 68155-09-9. OECD guideline 406 and EU guideline B.6.
The test substance produced a 0% sensitisation rate to guinea pig skin.
Based on company experimental data (reported under the endpoint record Skin sensitisation_57) on the analogue CAS No. 68155-09-9, the read-across approach is applied and the substance Amides, C12-14 (even numbered), N-[3-(dimethylamino)propyl], N'-oxides is considered to be not sensitising.
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.
Migrated from Short description of key information:
Key study: Read-across from experimental data on the analogue CAS No. 68155-09-9. OECD guideline 406 and EU guideline B.6. GLP study.
The test substance produced a 0% sensitisation rate to guinea pig skin.
Justification for selection of skin sensitisation endpoint:
Only one study available.
Justification for classification or non-classification
Based on the available results, the substance is not classified.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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