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

Repeated dose toxicity: inhalation

Administrative data

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

Data source

Reference

Reference Type:

other: Predicted data

Title:

[R]: 24 mg/kg/day; Estimation for study LOEL

Author:

Sustainability Support Services (Europe) AB

Year:

2013

Bibliographic source:

QSAR toolbox Version 3.1

Materials and methods

Test guideline

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

Test material

Test material information

Constituent 1

Reference substance name:

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

EC Number:

269-087-2

EC Name:

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

Cas Number:

68187-32-6

Molecular formula:

C17 H32 N1 O4 Na1

IUPAC Name:

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

Details on test material:

- Name of test material (as cited in study report): l-Glutamic acid, N-coco acyl derivs., monosodium salts
- Substance type: organic
- Physical state: liquid

Test animals

Species:

rat

Strain:

Crj: CD(SD)

Sex:

male

Administration / exposure

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

Results and discussion

Results of examinations

Body weight and weight changes:

effects observed, treatment-related

Description (incidence and severity):

decrease

Effect levels

Dose descriptor:

LOEL

Effect level:

23.965 other: mg/kg/day

Based on:

test mat.

Sex:

male

Basis for effect level:

other: Body weight

Target system / organ toxicity

Critical effects observed:

not specified

Any other information on results incl. tables

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

Applicant's summary and conclusion

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.