L-Glutamic acid, N-coco acyl derivs., monosodium salts

Endpoint summary

Description of key information

toxicity not observed in any of the route of exposure.

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records

Reference

Endpoint:

acute toxicity: oral

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

Qualifier:

according to guideline

Guideline:

other: OECD Guideline 401 (Acute Oral Toxicity)

Principles of method if other than guideline:

Data is predicted by QSAR toolbox version 3.1

GLP compliance:

no

Test type:

standard acute method

Species:

mouse

Strain:

CD-1

Sex:

not specified

Route of administration:

oral: gavage

Vehicle:

not specified

No. of animals per sex per dose:

10

Control animals:

not specified

Sex:

not specified

Dose descriptor:

LD50

Effect level:

4 874 mg/kg bw

Based on:

test mat.

The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

(((("a" or "b" or "c" or "d" or "e" or "f" )  and "g" )  and "h" )  and ("i" and "j" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Aliphatic Amines by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr AND Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O by Chemical elements

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Carboxylic acid AND Sarcosine by Organic functional groups (nested)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Acid, aliphatic attach [-COOH] AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Amino, aliphatic attach [-N<] AND Amino, aliphatic attach [-NH-] AND Carbonyl, aliphatic 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 Alpha-aminoacid AND Amine AND Anion AND Carbonic acid derivative AND Carboxylic acid AND Carboxylic acid derivative AND Carboxylic acid salt AND Cation AND Secondary aliphatic amine AND Secondary amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Acid, aliphatic attach [-COOH] AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Amino, aliphatic attach [-N<] AND Amino, aliphatic attach [-NH-] AND Carbonyl, aliphatic 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: "g"

Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (original)

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (with extensions)

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.71

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.315

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

The acute oral median lethal dose (LD50) of l-Glutamic acid, N-coco acyl derivs., monosodium salts in mouse(CD1) in 24 hr study was estimated to be 4874 mg/kg bw.

Executive summary:

The acute oral median lethal dose (LD50) of l-Glutamic acid, N-coco acyl derivs., monosodium salts in mouse(CD1) in 24 hr study was estimated to be 4874 mg/kg bw. Thus considering the CLP Criteria for classification of the substance, it is concluded that l-Glutamic acid, N-coco acyl derivs., monosodium salts could not exhibit acute toxicity in CD-1 mouse by the oral route.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

4 874 mg/kg bw

Quality of whole database:

K2 level data from QSAR prediction

Acute toxicity: via inhalation route

Link to relevant study records

Reference

Endpoint:

acute toxicity: inhalation

Data waiving:

other justification

Justification for data waiving:

other:

Clinical signs:

other:

Endpoint conclusion

Endpoint conclusion:

no study available

Acute toxicity: via dermal route

Link to relevant study records

Reference

Endpoint:

acute toxicity: dermal

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

according to guideline

Guideline:

other: OECD Guideline 402 (Acute Dermal Toxicity)

Principles of method if other than guideline:

Data is predicted by QSAR toolbox version 3.1

GLP compliance:

no

Test type:

standard acute method

Species:

rabbit

Strain:

New Zealand White

Sex:

female

Type of coverage:

occlusive

Vehicle:

water

Duration of exposure:

24 hours,observation period-2 weeks

No. of animals per sex per dose:

2 females

Control animals:

no

Sex:

female

Dose descriptor:

LD50

Effect level:

4 026.286 mg/kg bw

Based on:

test mat.

Mortality:

no mortality was observed

The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Takes average value from the 7 nearest neighbours
Domain  logical expression:Result: In Domain

((((((("a" or "b" or "c" or "d" or "e" or "f" )  and ("g" and ( not "h") )  )  and ("i" and ( not "j") )  )  and "k" )  and ("l" and ( not "m") )  )  and ("n" and ( not "o") )  )  and ("p" and "q" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Aliphatic Amines by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr AND Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O by Chemical elements

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Carboxylic acid AND Sarcosine by Organic functional groups (nested)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Acid, aliphatic attach [-COOH] AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Amino, aliphatic attach [-N<] AND Amino, aliphatic attach [-NH-] AND Carbonyl, aliphatic 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 Alpha-aminoacid AND Amine AND Anion AND Carbonic acid derivative AND Carboxylic acid AND Carboxylic acid derivative AND Carboxylic acid salt AND Cation AND Secondary aliphatic amine AND Secondary amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Acid, aliphatic attach [-COOH] AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Amino, aliphatic attach [-N<] AND Amino, aliphatic attach [-NH-] AND Carbonyl, aliphatic 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: "g"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1

Domain logical expression index: "h"

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 >> N-acylamides OR Michael addition OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group >> alpha,beta-carbonyl compounds with polarized double bonds by Protein binding by OASIS v1.1

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr AND Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O by Chemical elements

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Group 15 - Phosphorus P OR Group 16 - Sulfur S by Chemical elements

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Not categorized by Repeated dose (HESS)

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as Aliphatic amines (Mucous membrane irritation) Rank C OR Aliphatic nitriles (Hepatotoxicity) Rank B by Repeated dose (HESS)

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as Non binder, non cyclic structure by Estrogen Receptor Binding

Domain logical expression index: "o"

Referential boundary: The target chemical should be classified as Non binder, without OH or NH2 group by Estrogen Receptor Binding

Domain logical expression index: "p"

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.61

Domain logical expression index: "q"

Parametric boundary:The target chemical should have a value of log Kow which is <= -0.74

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

The lethal dose (LD50) of l-Glutamic acid, N-coco acyl derivs., monosodium salts in rabbit(New Zealand White) by the dermal route was estimated to be 4026.2856 mg/kg bw.

Executive summary:

The lethal dose (LD50) of l-Glutamic acid, N-coco acyl derivs., monosodium salts in rabbit(New Zealand White) by the dermal route was estimated to be 4026.2856 mg/kg bw.Thus considering the CLP Criteria for classification of the substance, it is concluded that l-Glutamic acid, N-coco acyl derivs., monosodium salts  could not exhibit acute toxicity in rabbit(New Zealand White) by the dermal route.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

4 026.28 mg/kg bw

Quality of whole database:

K2 level data from QSAR prediction

Additional information

Oral Toxicity :

The acute oral median lethal dose (LD50) of l-Glutamic acid, N-coco acyl derivs., monosodium salts in mouse(CD1) in 24 hr study was estimated to be 4874 mg/kg bw. Thus considering the CLP Criteria for classification of the substance, it is concluded that l-Glutamic acid, N-coco acyl derivs., monosodium salts could not exhibit acute toxicity in CD-1 mouse by the oral route.

Inhalation toxicity :

This data was considered for waiver considering the particle size distribution. Majority of the particles were found to be in the size 75 - 500 micrometer in size which is much larger size range compared to the inhalable particulate matter. Thus, exposure to inhalable dust, mist and vapour of the chemical Sodium Cocoyl glutamate is highly unlikely.

Dermal toxicity :

The lethal dose (LD50) of l-Glutamic acid, N-coco acyl derivs., monosodium salts in rabbit(New Zealand White) by the dermal route was estimated to be 4026.2856 mg/kg bw.Thus considering the CLP Criteria for classification of the substance, it is concluded that l-Glutamic acid, N-coco acyl derivs., monosodium salts  could not exhibit acute toxicity in rabbit(New Zealand White) by the dermal route.

Justification for selection of acute toxicity – oral endpoint

The acute oral median lethal dose (LD50) of l-Glutamic acid, N-coco acyl derivs., monosodium salts in mouse(CD1) in 24 hr study was estimated to be 4874 mg/kg bw. Thus considering the CLP Criteria for classification of the substance, it is concluded that l-Glutamic acid, N-coco acyl derivs., monosodium salts could not exhibit acute toxicity in CD-1 mouse by the oral route.

Justification for selection of acute toxicity – inhalation endpoint

This data was considered for waiver considering the particle size distribution. Majority of the particles were found to be in the size 75 - 500 micrometer in size which is much larger size range compared to the inhalable particulate matter. Thus, exposure to inhalable dust, mist and vapour of the chemical Sodium Cocoyl glutamate is highly unlikely.

Justification for selection of acute toxicity – dermal endpoint

The lethal dose (LD50) of l-Glutamic acid, N-coco acyl derivs., monosodium salts in rabbit(New Zealand White) by the dermal route was estimated to be 4026.2856 mg/kg bw.Thus considering the CLP Criteria for classification of the substance, it is concluded that l-Glutamic acid, N-coco acyl derivs., monosodium salts  could not exhibit acute toxicity in rabbit(New Zealand White) by the dermal route.

Justification for classification or non-classification

Based on the prediction and pubulicatio data available it can be concluded that the target chemical,

l-Glutamic acid, N-coco acyl derivs., monosodium salts, do not have any toxicity effect to any of the route of exposure i.e. oral, inhalation and dermal route and so will not qualify for classification.