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

Endpoint summary

Description of key information

no toxicity effect observed

Key value for chemical safety assessment

Toxic effect type:

dose-dependent

Repeated dose toxicity: via oral route - systemic effects

Link to relevant study records

Reference

Endpoint:

sub-chronic 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: Estimated data

Principles of method if other than guideline:

Data is predicted by QSAR toolbox version 3.1

GLP compliance:

no

Species:

rat

Strain:

Sprague-Dawley

Sex:

male/female

Route of administration:

oral: drinking water

Vehicle:

water

Details on oral exposure:

Groups of 5 rats/sex received drinking water solutions.

Analytical verification of doses or concentrations:

not specified

Duration of treatment / exposure:

2 weeks

Frequency of treatment:

continuously in the drinking wate

No. of animals per sex per dose:

5 rats/sex

Control animals:

yes, concurrent vehicle

Positive control:

none

Dose descriptor:

LOAEL

Effect level:

425 mg/kg bw/day (nominal)

Based on:

test mat.

Sex:

not specified

Basis for effect level:

other: Increased kidney weight

Critical effects observed:

not specified

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

((((("a" and ("b" and ( not "c") )  )  and ("d" and ( not "e") )  )  and ("f" and ( not "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 No alert found by Protein binding by OASIS v1.1

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as SNAr OR SNAr >> Nucleophilic aromatic substitution on activated halogens OR SNAr >> Nucleophilic aromatic substitution on activated halogens >> Activated haloarenes by Protein binding by OASIS v1.1

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD

Domain logical expression index: "e"

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 >> Acetates OR SN2 OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Allyl acetates and related chemicals by Protein binding by OECD

Domain logical expression index: "f"

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: "g"

Referential boundary: The target chemical should be classified as Group 14 - Metalloids Si,Ge OR Group 17 - Halogens Cl OR Group 17 - Halogens F,Cl,Br,I,At by Chemical elements

Domain logical expression index: "h"

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

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is >= -2.13

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log Kow which is <= -0.449

Conclusions:

Repeated dose toxicity LOAEL (Lowest observed Adverse effect level) of l-Glutamic acid, N-coco acyl derivs., monosodium salts in rat (Sprague-Dawley) by the oral route was estimated at a dose concentration of 425 mg/kg bw.

Executive summary:

Repeated dose toxicity LOAEL (Lowest observed Adverse effect level) of l-Glutamic acid, N-coco acyl derivs., monosodium saltsin rat (Sprague-Dawley) by the oral route was estimated at a dose concentration of 425 mg/kg bw.On the basis of this LOAEL it is concluded that the test substance is not toxic to rat (Sprague-Dawley)by oral route below the mentioned dose and there is no indicated adverse toxicity level.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LOAEL

425 mg/kg bw/day

Study duration:

subacute

Species:

rat

Quality of whole database:

K2 level data from QSAR prediction

Repeated dose toxicity: inhalation - systemic effects

Link to relevant study records

Reference

Endpoint:

short-term repeated dose toxicity: inhalation

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: estimated data

Principles of method if other than guideline:

Data is predicted by QSAR toolbox version 3.1

GLP compliance:

no

Species:

rat

Strain:

Crj: CD(SD)

Sex:

male

Route of administration:

other: no data

Type of inhalation exposure:

not specified

Vehicle:

not specified

Analytical verification of doses or concentrations:

not specified

Duration of treatment / exposure:

Weekly exposure-5 days/week
Daily exposure-6hrs/day
Study duration-14 days

Body weight and weight changes:

effects observed, treatment-related

Description (incidence and severity):

decrease

Dose descriptor:

LOEL

Effect level:

23.965 other: mg/kg/day

Based on:

test mat.

Sex:

male

Basis for effect level:

other: Body weight

Critical effects observed:

not specified

The prediction was based on dataset comprised from the following descriptors: "study LOEL"
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 ( not "h") )  )  and ("i" and ( not "j") )  )  and "k" )  and ("l" and "m" )  )

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 Carcinogenicity (genotox and nongenotox) alerts by ISS

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Aromatic ring N-oxide (Genotox) OR Structural alert for genotoxic carcinogenicity by Carcinogenicity (genotox and nongenotox) alerts by ISS

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 17 - Halogens Cl OR Group 17 - Halogens F,Cl,Br,I,At by Chemical elements

Domain logical expression index: "k"

Similarity boundary:Target: C(=O)(O)C(CCC(=O)O{-}.[Na]{+})NCCCCCCCCCCCC
Threshold=60%,
Dice(Atom pairs)

Domain logical expression index: "l"

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

Domain logical expression index: "m"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.0488

Conclusions:

Repeated dose toxicity LOEL (Lowest observed effect level) in 14 days study of l-Glutamic acid, N-coco acyl derivs., monosodium salts in rat by the inhalation route based on effect on body weight was found at a dose concentration of 23.965074539 mg/kg/day.

Executive summary:

Repeated dose toxicity LOEL (Lowest observed effect level) in 14 days study of l-Glutamic acid, N-coco acyl derivs., monosodium salts in rat by the inhalation route based on effect on body weight was found at a dose concentration of 23.965074539 mg/kg/day.On the basis of this LOEL it is concluded that the test substance is not toxic to rat by oral route below the mentioned dose.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

23.96 mg/m³

Study duration:

subacute

Species:

rat

Quality of whole database:

K2 level data from QSAR prediction

Repeated dose toxicity: dermal - systemic effects

Link to relevant study records

Reference

Endpoint:

repeated dose toxicity: dermal

Data waiving:

other justification

Justification for data waiving:

other:

Critical effects observed:

not specified

Endpoint conclusion

Endpoint conclusion:

no study available

Additional information

Oral :

Repeated dose toxicity LOAEL (Lowest observed Adverse effect level) of l-Glutamic acid, N-coco acyl derivs., monosodium saltsin rat (Sprague-Dawley) by the oral route was estimated at a dose concentration of 425 mg/kg bw.On the basis of this LOAEL it is concluded that the test substance is not toxic to rat (Sprague-Dawley)by oral route below the mentioned dose and there is no indicated adverse toxicity level.

Inhalation :

Repeated dose toxicity LOEL (Lowest observed effect level) in 14 days study of l-Glutamic acid, N-coco acyl derivs., monosodium salts in rat by the inhalation route based on effect on body weight was found at a dose concentration of 23.965074539 mg/kg/day.On the basis of this LOEL it is concluded that the test substance is not toxic to rat by oral route below the mentioned dose.

Dermal:

There are studies that indicate the acute dermal toxicity (LD50) of Sodium Cocoyl glutamate on rabbit to be greater than 2000 mg/kg body weight. Also, this chemical does not have skin sensitization effect. Thus indicating that the substance will be have no skin effect on repeated exposure

Justification for selection of repeated dose toxicity via oral route - systemic effects endpoint:

Repeated dose toxicity LOAEL (Lowest observed Adverse effect level) of l-Glutamic acid, N-coco acyl derivs., monosodium saltsin rat (Sprague-Dawley) by the oral route was estimated at a dose concentration of 425 mg/kg bw.On the basis of this LOAEL it is concluded that the test substance is not toxic to rat (Sprague-Dawley)by oral route below the mentioned dose and there is no indicated adverse toxicity level.

Justification for selection of repeated dose toxicity inhalation - systemic effects endpoint:

Repeated dose toxicity LOEL (Lowest observed effect level) in 14 days study of l-Glutamic acid, N-coco acyl derivs., monosodium salts in rat by the inhalation route based on effect on body weight was found at a dose concentration of 23.965074539 mg/kg/day.On the basis of this LOEL it is concluded that the test substance is not toxic to rat by oral route below the mentioned dose.

Justification for selection of repeated dose toxicity dermal - systemic effects endpoint:

There are studies that indicate the acute dermal toxicity (LD50) of Sodium Cocoyl glutamate on rabbit to be greater than 2000 mg/kg body weight. Also, this chemical does not have skin sensitization effect. Thus indicating that the substance will be have no skin effect on repeated exposure

Justification for classification or non-classification

Based on the prediction data of the various route of exposure (namely oral, dermal and inhalation), it can be concluded that repeated dose toxicity of the substance is non toxic to animal.