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EC number: 936-610-7 | CAS number: -
- 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
Repeated dose oral toxicity: NOEL 1740 mg/kg bw/day (oral gavage, rats), QSAR, Sodium hydrogen N-(1-oxohexadecyl)-L-glutamate
Repeated dose oral toxicity: NOEL ca. 1509.8 mg/kg bw/day (oral gavage, rats), QSAR, Sodium hydrogen N-(1-oxooctadecyl)-L-glutamate
Key value for chemical safety assessment
Repeated dose toxicity: via oral route - systemic effects
Link to relevant study records
- Endpoint:
- repeated dose toxicity: oral, other
- Remarks:
- Both subchronic and subacute data were used in the prediction. As a worst case, the prediction is submitted as subacute toxicity data.
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR conducted on read across material
- Justification for type of information:
- See Read Across Justification in Section 13.
- Dose descriptor:
- NOEL
- Effect level:
- 1 509.766 mg/kg bw/day (nominal)
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: Based on the modelled conditions
- Remarks on result:
- other: The prediction was based on the average value from the 5 nearest neighbours compared by the prediction descriptors.
- Endpoint:
- repeated dose toxicity: oral, other
- Remarks:
- other: Both subchronic and subacute data were used in the prediction. As a worst case, the prediction is submitted as subacute toxicity data.
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2015
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The following prediction was performed using the OECD QSAR Toolbox using an appropriate category based on the current endpoint (Repeated dose HESS). The prediction was further refined from a large database of metadata based on relevant subcategories.
- Justification for type of information:
- See Read Across Justification in Section 13..
- Reason / purpose for cross-reference:
- other: Target record
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6, May/July 2008
- Principles of method if other than guideline:
- The repeat dose oral toxicity of the test material was evaluated using a read-across approach. Suitable analogues were found in the OECD QSAR Toolbox using the Repeated Dose Hess category, and the results were refined using relevant subcategories.
- GLP compliance:
- not specified
- Remarks:
- As no laboratory work took place, compliance with GLP is not required.
- Limit test:
- no
- Species:
- rat
- Strain:
- other: SD
- Route of administration:
- oral: gavage
- Dose descriptor:
- NOEL
- Effect level:
- 1 509.766 mg/kg bw/day (nominal)
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: Based on the modelled conditions
- Remarks on result:
- other: The prediction was based on the average value from the 5 nearest neighbours compared by the prediction descriptors.
- Critical effects observed:
- not specified
- Conclusions:
- Based on the modelled conditions, the subacute NOEL of the test material in the rat was determined to be ca. 1509.8 mg/kg bw/day.
- Executive summary:
The repeat dose oral toxicity of the test material was evaluated using a read-across approach. Suitable analogues were found in the OECD QSAR Toolbox using the Repeated Dose Hess category, and the results were refined using relevant subcategories.
Based on the modelled conditions, the subacute NOEL of the test material in the rat was determined to be ca. 1509.8 mg/kg bw/day.
The target chemical falls within the applicability domain of the prediction.
- Endpoint:
- repeated dose toxicity: oral, other
- Remarks:
- other: Both subchronic and subacute data were used in the prediction. As a worst case, the prediction is submitted as subacute toxicity data.
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2015
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The following prediction was performed using the OECD QSAR Toolbox using an appropriate category based on the current endpoint (Repeated dose HESS). The prediction was further refined from a large database of metadata based on relevant subcategories.
- Justification for type of information:
- See Read Across Justification in Section 13.
- Reason / purpose for cross-reference:
- other: Target record
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6, May/July 2008
- Principles of method if other than guideline:
- The repeat dose oral toxicity of the test material was evaluated using a read-across approach. Suitable analogues were found in the OECD QSAR Toolbox using the Repeated Dose Hess category, and the results were refined using relevant subcategories.
- GLP compliance:
- no
- Remarks:
- As no laboratory work took place, compliance with GLP is not required.
- Limit test:
- no
- Species:
- rat
- Route of administration:
- oral: gavage
- Dose descriptor:
- NOEL
- Effect level:
- 1 740 mg/kg bw/day (nominal)
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: Based on the modelled conditions
- Remarks on result:
- other: The prediction was based on the average value from the 5 nearest neighbours compared by prediction descriptors.
- Critical effects observed:
- not specified
- Conclusions:
- Based on the modelled conditions, the subacute NOEL of the test material in the rat was determined to be 1740 mg/kg bw/day.
- Executive summary:
The repeat dose oral toxicity of the test material was evaluated using a read-across approach. Suitable analogues were found in the OECD QSAR Toolbox using the Repeated Dose Hess category, and the results were refined using relevant subcategories.
Based on the modelled conditions, the subacute NOEL of the test material in the rat was determined to be 1740 mg/kg bw/day. The target chemical falls within the applicability domain of the prediction.
- Endpoint:
- repeated dose toxicity: oral, other
- Remarks:
- Both subchronic and subacute data were used in the prediction. As a worst case, the prediction is submitted as subacute toxicity data.
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR conducted on read across material
- Justification for type of information:
- See Read Across Justification in Section 13.
- Dose descriptor:
- NOEL
- Effect level:
- 1 740 mg/kg bw/day (nominal)
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: Based on the modelled conditions
- Remarks on result:
- other: The prediction was based on the average value from the 5 nearest neighbours compared by prediction descriptors.
Referenceopen allclose all
The
prediction was based on dataset comprised from the following
descriptors: NOEL
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 ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and "o" )
and ("p"
and "q" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Not categorized by OECD HPV
Chemical Categories
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Amorphous silica silicates OR
Aryl substituted peroxy esters OR Benzoates OR Butanedioic acid OR C10+
Aromatics hydrocarbon solvents OR C14+Aliphatics hydrocarbon solvents
(less than 2 percent aromatics) OR C9 Aromatics hydrocarbon solvents OR
C9-13 Aliphatics hydrocarbon solvents (less than 2 percent aromatics) OR
Cadmium (oxide) OR Dialkyl peroxides OR Diarylide yellow pigments OR
Ethoxysilanes OR High molecular weight phthalate esters OR Hydrotrope
surfactants OR m,p - Cresols OR Nickel and nickel compounds OR Oxo
alcohols OR PFOA OR Primary amines OR Propylene glycol ethers OR
Secondary amines OR Short chain alkyl methacrylates esters OR Soluble
silicates OR Toluene diisocyanates OR Vinylethers OR Zinc metal and
salts by OECD HPV Chemical Categories
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Discrete chemical AND
Dissociating chemical by Substance Type ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acid Chlorides OR
Acrylates/Methacrylates (Acute toxicity) OR Acrylates/Methacrylates
(Chronic toxicity) OR Aldehydes (Acute toxicity) OR Aliphatic Amines OR
Alkoxysilanes OR Anhydrides, Carboxylic acid OR Anilines (Acute
toxicity) OR Anionic Surfactants OR Benzotriazole-hindered phenols OR
Benzotriazoles (Acute toxicity) OR Cationic (quaternary ammonium)
surfactants OR Epoxides OR Esters (Acute toxicity) OR Esters (Chronic
toxicity) OR Ethylene Glycol Ethers OR Hydrazines and Related Compounds
OR Imides (Acute toxicity) OR Neutral Organics OR Nonionic Surfactants
OR Persistent, Bioaccumulative and Toxic (PBT) Chemicals OR Phenols
(Acute toxicity) OR Phenols (Chronic toxicity) OR Polynitroaromatics
(Acute toxicity) OR Substituted Triazines (Acute toxicity) OR Thiols
(Acute toxicity) OR Vinyl Sulfones by US-EPA New Chemical Categories
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinones OR AN2 >> Carbamoylation after isocyanate
formation OR AN2 >> Carbamoylation after isocyanate formation >>
N-Hydroxylamines OR AN2 >> Michael-type addition on alpha,
beta-unsaturated carbonyl compounds OR AN2 >> Michael-type addition on
alpha, beta-unsaturated carbonyl compounds >> Four- and Five-Membered
Lactones OR AN2 >> Schiff base formation by aldehyde formed after
metabolic activation OR AN2 >> Schiff base formation by aldehyde formed
after metabolic activation >> Geminal Polyhaloalkane Derivatives OR AN2
>> Shiff base formation for aldehydes OR AN2 >> Shiff base formation for
aldehydes >> Geminal Polyhaloalkane Derivatives OR AN2 >> Shiff base
formation for aldehydes >> Haloalkane Derivatives with Labile Halogen OR
AN2 >> Thioacylation via nucleophilic addition after cysteine-mediated
thioketene formation OR AN2 >> Thioacylation via nucleophilic addition
after cysteine-mediated thioketene formation >> Haloalkenes with
Electron-Withdrawing Groups OR Non-covalent interaction OR Non-covalent
interaction >> DNA intercalation OR Non-covalent interaction >> DNA
intercalation >> Coumarins OR Non-covalent interaction >> DNA
intercalation >> DNA Intercalators with Carboxamide Side Chain OR
Non-covalent interaction >> DNA intercalation >> Quinones OR Radical OR
Radical >> Generation of ROS by glutathione depletion (indirect) OR
Radical >> Generation of ROS by glutathione depletion (indirect) >>
Haloalkanes Containing Heteroatom OR Radical >> Radical mechanism via
ROS formation (indirect) OR Radical >> Radical mechanism via ROS
formation (indirect) >> Conjugated Nitro Compounds OR Radical >> Radical
mechanism via ROS formation (indirect) >> Coumarins OR Radical >>
Radical mechanism via ROS formation (indirect) >> Geminal Polyhaloalkane
Derivatives OR Radical >> Radical mechanism via ROS formation (indirect)
>> N-Hydroxylamines OR Radical >> Radical mechanism via ROS formation
(indirect) >> Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR
Radical >> Radical mechanism via ROS formation (indirect) >> Quinones OR
SN1 OR SN1 >> Nucleophilic attack after metabolic nitrenium ion
formation OR SN1 >> Nucleophilic attack after metabolic nitrenium ion
formation >> N-Hydroxylamines OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation OR SN1 >> Nucleophilic attack
after reduction and nitrenium ion formation >> Conjugated Nitro
Compounds OR SN1 >> Nucleophilic attack after reduction and nitrenium
ion formation >> Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids
OR SN2 OR SN2 >> Acylation involving a leaving group OR SN2 >>
Acylation involving a leaving group >> Geminal Polyhaloalkane
Derivatives OR SN2 >> Acylation involving a leaving group >> Haloalkane
Derivatives with Labile Halogen OR SN2 >> Acylation involving a leaving
group after metabolic activation OR SN2 >> Acylation involving a leaving
group after metabolic activation >> Geminal Polyhaloalkane Derivatives
OR SN2 >> Alkylation, direct acting epoxides and related after
P450-mediated metabolic activation OR SN2 >> Alkylation, direct acting
epoxides and related after P450-mediated metabolic activation >>
Haloalkenes with Electron-Withdrawing Groups OR SN2 >> Alkylation,
nucleophilic substitution at sp3-carbon atom OR SN2 >> Alkylation,
nucleophilic substitution at sp3-carbon atom >> Haloalkane Derivatives
with Labile Halogen OR SN2 >> Alkylation, ring opening SN2 reaction OR
SN2 >> Alkylation, ring opening SN2 reaction >> Four- and Five-Membered
Lactones OR SN2 >> Direct acting epoxides formed after metabolic
activation OR SN2 >> Direct acting epoxides formed after metabolic
activation >> Coumarins OR SN2 >> DNA alkylation OR SN2 >> DNA
alkylation >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates
OR SN2 >> DNA alkylation >> Vicinal Dihaloalkanes OR SN2 >> Internal SN2
reaction with aziridinium and/or cyclic sulfonium ion formation
(enzymatic) OR SN2 >> Internal SN2 reaction with aziridinium and/or
cyclic sulfonium ion formation (enzymatic) >> Vicinal Dihaloalkanes OR
SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing
Heteroatom OR SN2 >> Nucleophilic substitution at sp3 carbon atom after
thiol (glutathione) conjugation OR SN2 >> Nucleophilic substitution at
sp3 carbon atom after thiol (glutathione) conjugation >> Geminal
Polyhaloalkane Derivatives by DNA binding by OASIS v.1.3
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >>
Isocyanates and Isothiocyanates OR Acylation >> Isocyanates and
Isothiocyanates >> Isothiocyanates OR Michael addition OR Michael
addition >> P450 Mediated Activation of Heterocyclic Ring Systems OR
Michael addition >> P450 Mediated Activation of Heterocyclic Ring
Systems >> Furans OR Michael addition >> P450 Mediated Activation to
Quinones and Quinone-type Chemicals OR Michael addition >> P450 Mediated
Activation to Quinones and Quinone-type Chemicals >> Arenes OR SN1 OR
SN1 >> Iminium Ion Formation OR SN1 >> Iminium Ion Formation >>
Aliphatic tertiary amines OR SN1 >> Nitrenium Ion formation OR SN1 >>
Nitrenium Ion formation >> Aromatic nitro OR SN1 >> Nitrenium Ion
formation >> Aromatic phenylureas OR SN1 >> Nitrenium Ion formation >>
Tertiary aromatic amine OR SN2 OR SN2 >> Epoxidation of Aliphatic
Alkenes OR SN2 >> Epoxidation of Aliphatic Alkenes >> Halogenated
polarised alkenes by DNA binding by OECD
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "l"
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 Michael addition OR Michael
addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes
>> Polarised alkene - pyridines OR SNAr OR SNAr >> Nucleophilic aromatic
substitution OR SNAr >> Nucleophilic aromatic substitution >> Activated
halo-benzenes by Protein binding by OECD
Domain
logical expression index: "m"
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: "n"
Referential
boundary: The
target chemical should be classified as Group 11 - Trans.Metals Cu,Ag,Au
OR Group 14 - Metalloids Si,Ge OR Group 15 - Phosphorus P OR Group 16 -
Sulfur S OR Group 17 - Halogens Br OR Group 17 - Halogens Cl OR Group 17
- Halogens F OR Group 17 - Halogens F,Cl,Br,I,At OR Group 4 -
Trans.Metals Ti,Zr,Hf by Chemical elements
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2.96
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.29
The
prediction was based on dataset comprised from the following
descriptors: NOEL
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 ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and "o" )
and ("p"
and "q" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Not categorized by OECD HPV
Chemical Categories
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Amorphous silica silicates OR
Aryl substituted peroxy esters OR Benzoates OR Butanedioic acid OR C10+
Aromatics hydrocarbon solvents OR C14+Aliphatics hydrocarbon solvents
(less than 2 percent aromatics) OR C9 Aromatics hydrocarbon solvents OR
C9-13 Aliphatics hydrocarbon solvents (less than 2 percent aromatics) OR
Cadmium (oxide) OR Dialkyl peroxides OR Diarylide yellow pigments OR
Ethoxysilanes OR High molecular weight phthalate esters OR Hydrotrope
surfactants OR m,p - Cresols OR Nickel and nickel compounds OR Oxo
alcohols OR PFOA OR Primary amines OR Propylene glycol ethers OR
Secondary amines OR Short chain alkyl methacrylates esters OR Soluble
silicates OR Toluene diisocyanates OR Vinylethers OR Zinc metal and
salts by OECD HPV Chemical Categories
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Discrete chemical AND
Dissociating chemical by Substance Type ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acid Chlorides OR
Acrylates/Methacrylates (Acute toxicity) OR Acrylates/Methacrylates
(Chronic toxicity) OR Aldehydes (Acute toxicity) OR Aliphatic Amines OR
Alkoxysilanes OR Anhydrides, Carboxylic acid OR Anilines (Acute
toxicity) OR Anionic Surfactants OR Benzotriazole-hindered phenols OR
Benzotriazoles (Acute toxicity) OR Cationic (quaternary ammonium)
surfactants OR Epoxides OR Esters (Acute toxicity) OR Esters (Chronic
toxicity) OR Ethylene Glycol Ethers OR Hydrazines and Related Compounds
OR Imides (Acute toxicity) OR Neutral Organics OR Nonionic Surfactants
OR Persistent, Bioaccumulative and Toxic (PBT) Chemicals OR Phenols
(Acute toxicity) OR Phenols (Chronic toxicity) OR Polynitroaromatics
(Acute toxicity) OR Substituted Triazines (Acute toxicity) OR Thiols
(Acute toxicity) OR Vinyl Sulfones by US-EPA New Chemical Categories
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinones OR AN2 >> Carbamoylation after isocyanate
formation OR AN2 >> Carbamoylation after isocyanate formation >>
N-Hydroxylamines OR AN2 >> Michael-type addition on alpha,
beta-unsaturated carbonyl compounds OR AN2 >> Michael-type addition on
alpha, beta-unsaturated carbonyl compounds >> Four- and Five-Membered
Lactones OR AN2 >> Schiff base formation by aldehyde formed after
metabolic activation OR AN2 >> Schiff base formation by aldehyde formed
after metabolic activation >> Geminal Polyhaloalkane Derivatives OR AN2
>> Shiff base formation for aldehydes OR AN2 >> Shiff base formation for
aldehydes >> Geminal Polyhaloalkane Derivatives OR AN2 >> Shiff base
formation for aldehydes >> Haloalkane Derivatives with Labile Halogen OR
AN2 >> Thioacylation via nucleophilic addition after cysteine-mediated
thioketene formation OR AN2 >> Thioacylation via nucleophilic addition
after cysteine-mediated thioketene formation >> Haloalkenes with
Electron-Withdrawing Groups OR Non-covalent interaction OR Non-covalent
interaction >> DNA intercalation OR Non-covalent interaction >> DNA
intercalation >> Coumarins OR Non-covalent interaction >> DNA
intercalation >> DNA Intercalators with Carboxamide Side Chain OR
Non-covalent interaction >> DNA intercalation >> Quinones OR Radical OR
Radical >> Generation of ROS by glutathione depletion (indirect) OR
Radical >> Generation of ROS by glutathione depletion (indirect) >>
Haloalkanes Containing Heteroatom OR Radical >> Radical mechanism via
ROS formation (indirect) OR Radical >> Radical mechanism via ROS
formation (indirect) >> Conjugated Nitro Compounds OR Radical >> Radical
mechanism via ROS formation (indirect) >> Coumarins OR Radical >>
Radical mechanism via ROS formation (indirect) >> Geminal Polyhaloalkane
Derivatives OR Radical >> Radical mechanism via ROS formation (indirect)
>> N-Hydroxylamines OR Radical >> Radical mechanism via ROS formation
(indirect) >> Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR
Radical >> Radical mechanism via ROS formation (indirect) >> Quinones OR
SN1 OR SN1 >> Nucleophilic attack after metabolic nitrenium ion
formation OR SN1 >> Nucleophilic attack after metabolic nitrenium ion
formation >> N-Hydroxylamines OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation OR SN1 >> Nucleophilic attack
after reduction and nitrenium ion formation >> Conjugated Nitro
Compounds OR SN1 >> Nucleophilic attack after reduction and nitrenium
ion formation >> Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids
OR SN2 OR SN2 >> Acylation involving a leaving group OR SN2 >>
Acylation involving a leaving group >> Geminal Polyhaloalkane
Derivatives OR SN2 >> Acylation involving a leaving group >> Haloalkane
Derivatives with Labile Halogen OR SN2 >> Acylation involving a leaving
group after metabolic activation OR SN2 >> Acylation involving a leaving
group after metabolic activation >> Geminal Polyhaloalkane Derivatives
OR SN2 >> Alkylation, direct acting epoxides and related after
P450-mediated metabolic activation OR SN2 >> Alkylation, direct acting
epoxides and related after P450-mediated metabolic activation >>
Haloalkenes with Electron-Withdrawing Groups OR SN2 >> Alkylation,
nucleophilic substitution at sp3-carbon atom OR SN2 >> Alkylation,
nucleophilic substitution at sp3-carbon atom >> Haloalkane Derivatives
with Labile Halogen OR SN2 >> Alkylation, ring opening SN2 reaction OR
SN2 >> Alkylation, ring opening SN2 reaction >> Four- and Five-Membered
Lactones OR SN2 >> Direct acting epoxides formed after metabolic
activation OR SN2 >> Direct acting epoxides formed after metabolic
activation >> Coumarins OR SN2 >> DNA alkylation OR SN2 >> DNA
alkylation >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates
OR SN2 >> DNA alkylation >> Vicinal Dihaloalkanes OR SN2 >> Internal SN2
reaction with aziridinium and/or cyclic sulfonium ion formation
(enzymatic) OR SN2 >> Internal SN2 reaction with aziridinium and/or
cyclic sulfonium ion formation (enzymatic) >> Vicinal Dihaloalkanes OR
SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing
Heteroatom OR SN2 >> Nucleophilic substitution at sp3 carbon atom after
thiol (glutathione) conjugation OR SN2 >> Nucleophilic substitution at
sp3 carbon atom after thiol (glutathione) conjugation >> Geminal
Polyhaloalkane Derivatives by DNA binding by OASIS v.1.3
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >>
Isocyanates and Isothiocyanates OR Acylation >> Isocyanates and
Isothiocyanates >> Isothiocyanates OR Michael addition OR Michael
addition >> P450 Mediated Activation of Heterocyclic Ring Systems OR
Michael addition >> P450 Mediated Activation of Heterocyclic Ring
Systems >> Furans OR Michael addition >> P450 Mediated Activation to
Quinones and Quinone-type Chemicals OR Michael addition >> P450 Mediated
Activation to Quinones and Quinone-type Chemicals >> Arenes OR SN1 OR
SN1 >> Iminium Ion Formation OR SN1 >> Iminium Ion Formation >>
Aliphatic tertiary amines OR SN1 >> Nitrenium Ion formation OR SN1 >>
Nitrenium Ion formation >> Aromatic nitro OR SN1 >> Nitrenium Ion
formation >> Aromatic phenylureas OR SN1 >> Nitrenium Ion formation >>
Tertiary aromatic amine OR SN2 OR SN2 >> Epoxidation of Aliphatic
Alkenes OR SN2 >> Epoxidation of Aliphatic Alkenes >> Halogenated
polarised alkenes by DNA binding by OECD
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "l"
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 Michael addition OR Michael
addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes
>> Polarised alkene - pyridines OR SNAr OR SNAr >> Nucleophilic aromatic
substitution OR SNAr >> Nucleophilic aromatic substitution >> Activated
halo-benzenes by Protein binding by OECD
Domain
logical expression index: "m"
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: "n"
Referential
boundary: The
target chemical should be classified as Group 11 - Trans.Metals Cu,Ag,Au
OR Group 14 - Metalloids Si,Ge OR Group 15 - Phosphorus P OR Group 16 -
Sulfur S OR Group 17 - Halogens Br OR Group 17 - Halogens Cl OR Group 17
- Halogens F OR Group 17 - Halogens F,Cl,Br,I,At OR Group 4 -
Trans.Metals Ti,Zr,Hf by Chemical elements
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.83
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.42
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Quality of whole database:
- The database is limited but of sufficient quality. The two QSAR predictions provided NOELs which can be used as a basis for classification and labelling, and also for risk assessment purposes, but does not indicate effects on specific organs.
Repeated dose toxicity: inhalation - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: inhalation - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
The repeat dose oral toxicity of the registered substance (a multi-constituent substance) was evaluated using a read-across approach of the two main constituents using bespoke QSARs created in the OECD QSAR Toolbox, tailored to both the substance and the endpoint. Suitable analogues were found using the Repeated Dose Hess category and the results refined using relevant subcategories.
The repeated dose oral toxicity No Observed Effect Level (NOEL) of sodium hydrogen N-(1-oxohexadecyl)-L-glutamate was determined to be 1740 mg/kg bw/day in the rat via oral gavage. The oral gavage NOEL in rats for Sodium hydrogen N-(1-oxooctadecyl)-L-glutamate was determined to be ca. 1509.8 mg/kg bw/day.
Justification for selection of repeated dose toxicity via oral route - systemic effects endpoint:
As the registered substance is a multiconstituent substance, the repeated dose toxicity was assessed using QSAR predictions of the two main constituents. As both reports demonstrated high expected No Observed Effect Levels (NOELs), both were presented as key studies.
Justification for classification or non-classification
In accordance with the criteria for classification as defined in Annex I, Regulation (EC) No. 1272/2008 (CLP), the substance does not require classification with respect to Specific Target Organ Toxicity repeated dose (STOT RE) via the oral route.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.