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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Description of key information

Skin irritation: Key study: Read-across from experimental data on the analogue CAS No. 68155-09-9. Test according to OECD guideline 404 and EU guideline B.4. GLP study. 
Eye irritation: Key study: Read-across from experimental data on the analogue CAS No. 68155-09-9. Test according to OECD guideline 405. GLP study.

Key value for chemical safety assessment

Skin irritation / corrosion

Link to relevant study records
Reference
Endpoint:
skin irritation: in vivo
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)
Irritation parameter:
edema score
Basis:
animal #1
Time point:
other: 24-72 h
Score:
0
Irritation parameter:
erythema score
Basis:
animal #1
Time point:
other: 24-72 h
Score:
0
Irritation parameter:
edema score
Basis:
animal #2
Time point:
other: 24-72 h
Score:
1
Max. score:
1
Reversibility:
fully reversible within: 7 days
Irritation parameter:
erythema score
Basis:
animal #2
Time point:
other: 24-72 h
Score:
2
Max. score:
2
Reversibility:
fully reversible within: 7 days
Remarks on result:
other: Loss of skin elasticity and loss of skin flexibility. At day 7, crust formation was observed. At day 14, slight desquamation was observed.
Irritation parameter:
edema score
Basis:
animal #3
Time point:
other: 24-72 h
Score:
1.67
Max. score:
2
Reversibility:
fully reversible within: 7 days
Irritation parameter:
erythema score
Basis:
animal #3
Time point:
other: 24-72 h
Score:
2
Max. score:
2
Reversibility:
fully reversible within: 7 days
Remarks on result:
other: Loss of skin elasticity and loss of skin flexibility. At day 7, crust formation was observed. At day 14, slight desquamation was observed.

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 irritation / corrosion_55) on the analogue CAS No. 68155-09-9, the read-across approach is applied. Based on the available data, the substance is classified as irritating according to Directive 67/548/EEC. However, taking into account the criteria established under CLP Regulation, the substance would not be classified.

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 Category 2.

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.

 

Interpretation of results:
Category 2 (irritant)
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
Based on the available data, the substance is classified as irritating according to Directive 67/548/EEC. However, taking into account the criteria established under CLP Regulation, the substance would not be classified.

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 Category 2.
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 irritation / corrosion_55) on the analogue CAS No. 68155-09-9, the read-across approach is applied. Based on the available data, the substance is classified as irritating according to Directive 67/548/EEC. However, taking into account the criteria established under CLP Regulation, the substance would not be classified.

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 Category 2.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed (irritating)

Eye irritation

Link to relevant study records
Reference
Endpoint:
eye irritation: in vivo
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)
Irritation parameter:
cornea opacity score
Basis:
animal #1
Time point:
other: 24-72 h
Score:
2
Max. score:
3
Reversibility:
fully reversible within: 14 days
Irritation parameter:
iris score
Basis:
animal #1
Time point:
other: 24-48-72 h
Score:
1
Max. score:
1
Reversibility:
fully reversible within: 7 days
Irritation parameter:
conjunctivae score
Basis:
animal #1
Time point:
other: 24-48-72 h
Score:
2.3
Max. score:
3
Reversibility:
fully reversible within: 14 days
Irritation parameter:
chemosis score
Basis:
animal #1
Time point:
other: 24-48-72 h
Score:
2
Max. score:
2
Reversibility:
fully reversible within: 14 days

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 Eye irritation_53) on the analogue CAS No. 68155-09-9, the read-across approach is applied. Based on the available data, the substance is classified as severe irritant according to Directive 67/548/EEC. 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 Irreversible effects on the eye Category 1.

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.

 

Interpretation of results:
Category 1 (irreversible effects on the eye)
Remarks:
Migrated information (only one animals was used. In order to take into account the worst case situation, the substance is classified as Category 1 (irreversible effects on the eye). Criteria used for interpretation of results: EU
Conclusions:
Based on the available data, the substance is classified as severe irritant according to Directive 67/548/EEC. 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 Irreversible effects on the eye Category 1.
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 Eye irritation_53) on the analogue CAS No. 68155-09-9, the read-across approach is applied. Based on the available data, the substance is classified as severe irritant according to Directive 67/548/EEC. 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 Irreversible effects on the eye Category 1.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed (irritating)

Additional information

Skin irritation: Key study: Read-across from experimental data on the analogue CAS No. 68155-09-9. Test according to OECD guideline 404 and EU guideline B.4. GLP study.

 

Based on company experimental data (reported under the endpoint record Skin irritation / corrosion_55) on the analogue CAS No. 68155-09-9, the read-across approach is applied. Based on the available data, the substance is classified as irritating according to Directive 67/548/EEC. However, taking into account the criteria established under CLP Regulation, the substance would not be classified.

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 Category 2.

Eye irritation: Key study: Read-across from experimental data on the analogue CAS No. 68155-09-9. Test according to OECD guideline 405. GLP study.

 

Based on company experimental data (reported under the endpoint record Eye irritation_53) on the analogue CAS No. 68155-09-9, the read-across approach is applied. Based on the available data, the substance is classified as severe irritant according to Directive 67/548/EEC. 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 Irreversible effects on the eye Category 1.

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 skin irritation / corrosion endpoint:
Only one key study available.

Justification for selection of eye irritation endpoint:
Only one study available.

Effects on skin irritation/corrosion: irritating

Effects on eye irritation: corrosive

Justification for classification or non-classification

Skin irritation: Based on the available data, the substance is classified as irritating according to Directive 67/548/EEC. However, taking into account the criteria established under CLP Regulation, the substance would not be classified.

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 Category 2.

Eye irritation: Based on the available data, the substance is classified as severe irritant according to Directive 67/548/EEC. 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 Irreversible effects on the eye Category 1.