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EC number: 219-648-2 | CAS number: 2491-06-7
- 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
Skin irritation:
The dermal irritation potential of 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated to be not irritating to the skin of New Zealand White rabbits. Based on the estimated result 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) can be considered to be not irritating to skin and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Eye irritation:
The ocular irritation potential of 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated to be not irritating into the eyes of New Zealand White rabbits. Based on the estimated result 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) can be considered to be not irritating to eye and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is from OECD QSAR toolbox version 3.3 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material : 2-(dimethylamino)acetic acid hydrochloride; N,N-dimethylglycinium chloride
- Molecular formula : C4H10ClNO2
- Molecular weight : 139.581 g/mol
- Smiles notation : OC(=O)CN(C)C.Cl
- InChl : 1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H
- Substance type: Organic
- Physical state: Solid - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- No data available
- Type of coverage:
- occlusive
- Preparation of test site:
- shaved
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- 4 hours
- Observation period:
- 72 hours
- Number of animals:
- 3
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No skin irritation was observed.
- Interpretation of results:
- other: not irritating
- Conclusions:
- The substance 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated to be not irritating to the skin of New Zealand White rabbits. Based on the estimated result 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) can be considered to be not irritating to skin.
- Executive summary:
The dermal irritation potential of 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated to be not irritating to the skin of New Zealand White rabbits. Based on the estimated result 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) can be considered to be not irritating to skin and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 9 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((((((((("a"
or "b" or "c" or "d" or "e" )
and "f" )
and "g" )
and "h" )
and "i" )
and ("j"
and (
not "k")
)
)
and "l" )
and "m" )
and "n" )
and "o" )
and ("p"
and (
not "q")
)
)
and ("r"
and (
not "s")
)
)
and ("t"
and (
not "u")
)
)
and ("v"
and (
not "w")
)
)
and ("x"
and (
not "y")
)
)
and "z" )
and "aa" )
and ("ab"
and "ac" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines AND Not
categorized by US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, tertiary OR
Carboxylic acid OR No functional group found by Organic Functional
groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, tertiary OR
Carboxylic acid OR No functional group found OR Overlapping groups by
Organic Functional groups (nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acid, aliphatic attach [-COOH]
OR Alcohol, olefinic attach [-OH] OR Aliphatic Carbon [CH] OR Aliphatic
Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Amino, aliphatic attach
[-N<] OR Carbonyl, aliphatic attach [-C(=O)-] OR Miscellaneous sulfide
(=S) or oxide (=O) OR No functional group found OR Olefinic carbon [=CH-
or =C<] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Amine OR Carbonic acid
derivative OR Carboxylic acid OR Carboxylic acid derivative OR No
functional group found OR Tertiary aliphatic amine OR Tertiary amine by
Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3 ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found AND SN1 AND SN1
>> Iminium Ion Formation AND SN1 >> Iminium Ion Formation >> Aliphatic
tertiary amines by DNA binding by OECD ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, tertiary AND
Carboxylic acid AND No functional group found AND Overlapping groups by
Organic Functional groups (nested)
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Acetoxy OR Acrylate OR Alcohol
OR Aliphatic Amine, primary OR Alkane branched with quaternary carbon OR
Alkane, branched with tertiary carbon OR Alkene OR Alkoxy OR
AlkoxySilane OR Allyl OR Alpha amino acid OR Aryl OR Borate ester OR
Bridged-ring heterocycles OR Carbamate OR Cobalt, salt OR Cycloalkane OR
Cycloalkene OR Cycloketone OR Disiloxane OR Ether OR Fused saturated
heterocycles OR Isopropyl OR Ketone OR Nitrile OR N-Oxide OR
Oxocarboxylic acid OR Peroxycarboxylic acid OR Phosphite ester OR
Phosphonate ester OR Piperazine OR Saturated heterocyclic amine OR
Saturated heterocyclic fragment OR Silane OR tert-Butyl OR Thioalcohol
by Organic Functional groups (nested)
Domain
logical expression index: "l"
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 Carbonyl, aliphatic attach [-C(=O)-] AND
Miscellaneous sulfide (=S) or oxide (=O) AND No functional group found
AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
ONLY
Domain
logical expression index: "m"
Similarity
boundary:Target:
Cl_CN(C)CC(O)=O
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "n"
Similarity
boundary:Target:
Cl_CN(C)CC(O)=O
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "o"
Similarity
boundary:Target:
Cl_CN(C)CC(O)=O
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Exclusion rules not met AND Group CN Melting Point > 180 C by
Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group C Surface
Tension > 62 mN/m OR Group All log Kow < -3.1 OR Group All Melting Point
> 200 C by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Halogenated Cycloalkane Type
Compounds AND Not classified by Oncologic Primary Classification
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Siloxane Type Compounds by
Oncologic Primary Classification
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Inorganic chemical AND Not
covered by current version of the decision tree AND Not known precedent
reproductive and developmental toxic potential by DART scheme v.1.0
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Metal atoms were identified OR
Metals (1a) by DART scheme v.1.0
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Aliphatic acid [-C(=O)-OH] AND
-CH2- [linear] AND Methyl [-CH3] AND Not calculated AND Tertiary amine
by Biodegradation fragments (BioWIN MITI)
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Quaternary amine by
Biodegradation fragments (BioWIN MITI)
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Aliphatic acid [-C(=O)-OH] AND
-CH2- [linear] AND Methyl [-CH3] AND No alert found AND Tertiary amine
by Bioaccumulation - metabolism alerts
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Number of fused acyclic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as High (Class III) AND Low (Class
I) by Toxic hazard classification by Cramer (original) ONLY
Domain
logical expression index: "ab"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.79
Domain
logical expression index: "ac"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= -0.278
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is from OECD QSAR toolbox version 3.3 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material : 2-(dimethylamino)acetic acid hydrochloride; N,N-dimethylglycinium chloride
- Molecular formula : C4H10ClNO2
- Molecular weight : 139.581 g/mol
- Smiles notation : OC(=O)CN(C)C.Cl
- InChl : 1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H
- Substance type: Organic
- Physical state: Solid - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or tissues and environmental conditions:
- No data available
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- single application
- Observation period (in vivo):
- 24/48/72 hours
- Number of animals or in vitro replicates:
- 3
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No eye irritation was observed.
- Interpretation of results:
- other: not irritating
- Conclusions:
- The substance 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated to be not irritating into the eyes of New Zealand White rabbits. Based on the estimated result 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) can be considered to be not irritating to eye.
- Executive summary:
The ocular irritation potential of 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated to be not irritating into the eyes of New Zealand White rabbits. Based on the estimated result 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) can be considered to be not irritating to eye and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 11 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((((((((((((((("a"
or "b" or "c" or "d" or "e" )
and "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and "u" )
and "v" )
and "w" )
and "x" )
and "y" )
and "z" )
and "aa" )
and "ab" )
and "ac" )
and "ad" )
and "ae" )
and ("af"
and (
not "ag")
)
)
and ("ah"
and (
not "ai")
)
)
and ("aj"
and (
not "ak")
)
)
and ("al"
and "am" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines AND Not
categorized by US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, tertiary OR
Carboxylic acid OR No functional group found by Organic Functional
groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, tertiary OR
Carboxylic acid OR No functional group found OR Overlapping groups by
Organic Functional groups (nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acid, aliphatic attach [-COOH]
OR Alcohol, olefinic attach [-OH] OR Aliphatic Carbon [CH] OR Aliphatic
Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Amino, aliphatic attach
[-N<] OR Carbonyl, aliphatic attach [-C(=O)-] OR Miscellaneous sulfide
(=S) or oxide (=O) OR No functional group found OR Olefinic carbon [=CH-
or =C<] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Amine OR Carbonic acid
derivative OR Carboxylic acid OR Carboxylic acid derivative OR No
functional group found OR Tertiary aliphatic amine OR Tertiary amine by
Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Exclusion rules not met by Eye irritation/corrosion Exclusion
rules by BfR
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Group All log Kow < -3.1 OR
Group All Melting Point > 200 C OR Group C Aqueous Solubility < 0.0005
g/L OR Group C Melting Point > 55 C OR Group CN Aqueous Solubility < 0.1
g/L OR Group CN Molecular Weight > 290 g/mol by Eye irritation/corrosion
Exclusion rules by BfR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Eye
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Aliphatic esters of chloro
formic acid OR Organic sulphonic salts by Eye irritation/corrosion
Inclusion rules by BfR
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found by in vitro
mutagenicity (Ames test) alerts by ISS
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Alkyl (C<5) or benzyl ester of
sulphonic or phosphonic acid OR Alkyl carbamate and thiocarbamate OR
Alkyl hydroperoxides OR alpha,beta-unsaturated aliphatic alkoxy group OR
alpha,beta-unsaturated carbonyls OR Epoxides and aziridines OR Hydrazine
OR Simple aldehyde by in vitro mutagenicity (Ames test) alerts by ISS
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Halogenated Cycloalkane Type
Compounds AND Not classified by Oncologic Primary Classification
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Acrylate Reactive Functional
Groups OR Aldehyde Type Compounds OR Alkyl Sulfate and Alkyl
Alkanesulfonate Type Compounds OR Organophosphorus Type Compounds OR
Peroxide Type Compounds OR Siloxane Type Compounds by Oncologic Primary
Classification
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael addition
to activated double bonds OR AN2 >> Michael addition to activated double
bonds >> alpha, beta - Unsaturated Carbonyls and Related Compounds OR
AN2 >> Michael addition to alpha, beta-unsaturated acids and esters OR
AN2 >> Michael addition to alpha, beta-unsaturated acids and esters >>
alpha, beta - Unsaturated Carboxylic Acids and Esters by Protein binding
alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for skin sensitization by OASIS v1.3
Domain
logical expression index: "r"
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 >> Anhydrides (sulphur analogues of
anhydrides) 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 OR Michael Addition >> Michael addition on conjugated systems
with electron withdrawing group >> Cyanoalkenes OR SN2 OR SN2 >>
Interchange reaction with sulphur containing compounds OR SN2 >>
Interchange reaction with sulphur containing compounds >> Thiols and
disulfide compounds by Protein binding alerts for skin sensitization by
OASIS v1.3
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Halogens AND Non-Metals by
Groups of elements
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Alkaline Earth
OR Metalloids OR Metals OR Rare Earth OR Transition Metals by Groups of
elements
Domain
logical expression index: "u"
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 Carbonyl, aliphatic attach [-C(=O)-] AND
Miscellaneous sulfide (=S) or oxide (=O) AND No functional group found
AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
ONLY
Domain
logical expression index: "v"
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 Carbonyl, aliphatic attach [-C(=O)-] AND
Miscellaneous sulfide (=S) or oxide (=O) AND No functional group found
AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
ONLY
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, tertiary AND
Carboxylic acid AND No functional group found by Organic Functional
groups ONLY
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, tertiary AND
Carboxylic acid AND No functional group found by Organic Functional
groups ONLY
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, tertiary AND
Carboxylic acid AND No functional group found by Organic Functional
groups ONLY
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, tertiary AND
Carboxylic acid AND No functional group found by Organic Functional
groups ONLY
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, tertiary AND
Carboxylic acid AND No functional group found by Organic Functional
groups ONLY
Domain
logical expression index: "ab"
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 Carbonyl, aliphatic attach [-C(=O)-] AND
Miscellaneous sulfide (=S) or oxide (=O) AND No functional group found
AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
ONLY
Domain
logical expression index: "ac"
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 Carbonyl, aliphatic attach [-C(=O)-] AND
Miscellaneous sulfide (=S) or oxide (=O) AND No functional group found
AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
ONLY
Domain
logical expression index: "ad"
Similarity
boundary:Target:
Cl_CN(C)CC(O)=O
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "ae"
Similarity
boundary:Target:
Cl_CN(C)CC(O)=O
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "af"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "ag"
Referential
boundary: The
target chemical should be classified as Valproic acid (Hepatotoxicity)
Alert by Repeated dose (HESS)
Domain
logical expression index: "ah"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "ai"
Referential
boundary: The
target chemical should be classified as Aliphatic nitriles
(Hepatotoxicity) Rank B by Repeated dose (HESS)
Domain
logical expression index: "aj"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "ak"
Referential
boundary: The
target chemical should be classified as Aliphatic amines (Mucous
membrane irritation) Rank C OR Carboxylic acids (Hepatotoxicity) No rank
by Repeated dose (HESS)
Domain
logical expression index: "al"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.68
Domain
logical expression index: "am"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= -0.269
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
Various studieshas been investigated for the test chemical2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) to observe the potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs and humans for target chemical2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) and its structurally similar read across substancesAdipic acid (CAS no: 124-04-9)andGlycine (CAS no: 56-40-6).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the skin irritation potential was estimated for test chemical2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) .The chemical 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) is estimated to be not irritating to skin of New Zealand White rabbits.
The Cosmetic Ingredient Review Expert Panel {International Journal of Toxicology; 2012 Jul-Aug;31(4 Suppl):5S-76S} conductedskin irritation test for read across substanceAdipic acid (CAS no: 124-04-9) on intact skin of ten guinea pigs to assess its skin irritation potential.The test material was applied to the intact skin of each rabbit at as dose of 50% in propylene glycol and later observed for skin reactions.Since none of the guinea pigs showed any signs of skin irritation, the chemicalAdipic acid (CAS no: 124-04-9)was considered to be not irritating to the skin of guinea pigs.
The above results were further supported by the another dermal irritation study carried out by Cosmetic Ingredient Review Expert Panel {International Journal of Toxicology; 2013 Nov-Dec;32(6 Suppl):41S-64S} of read across chemical Glycine (CAS no: 56-40-6) on 104 patients to determine its adverse effects caused by the chemical as a part of Human Repeated Insult Patch Test. When the chemical was tested at a dose of 2% in moisturizer under occlusive condition, no skin irritation effects were observed. Hence the chemical Glycine (CAS no: 56-40-6)was considered to not irritating the skin of 104 patients.
Thus on the basis of available data for thetarget chemical2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) and its structurally similar read across substancesAdipic acid (CAS no: 124-04-9)andGlycine (CAS no: 56-40-6),it can be concluded thatchemical 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) is unable to cause skin irritation and considered as not irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Eye irritation:
In different studies,the test chemical2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) has been investigated for potential for ocular irritationto a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemical2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) its structurally similar read across substancesArginine (CAS no: 74-79-3)and Glycine (CAS no: 56-40-6),The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the eye irritation potential was estimated for test chemical2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) .The chemical 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) is estimated to be not irritating to eye of New Zealand White rabbits.
The above results were further supported by the two ocular irritation studies conducted by Cosmetic Ingredient Review Expert Panel {International Journal of Toxicology; 2013 Nov-Dec;32(6 Suppl):41S-64S} for two read across chemical Arginine (CAS no: 74-79-3)and Glycine (CAS no: 56-40-6) as below;
A Draize test was conducted in 4 male New Zealand White albino rabbits to assess the eye irritation potential of read across chemical Arginine (CAS no: 74-79-3). About 5% of Arginine was installed into the eye of each rabbit and later observed for any signs of ocular lesions. None of the treated rabbits showed any known signs of eye irritation. Hence the chemical Arginine (CAS no: 74-79-3)was considered to be not irritating to the eyes of New Zealand White rabbits.
An eye irritation study of Glycine (CAS no: 56-40-6) was performed on 28 patients to determine its adverse effects caused by the chemical. The patients did not produce any signs of ocular lesions when the chemical was installed into the eye of each patient at a dose of 7.5%. Hence the chemical Glycine (CAS no: 56-40-6)was considered to not irritating the eyes of 28 patients.
Thus on the basis of available data for thetarget chemical2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) and its structurally similar read across substancesArginine (CAS no: 74-79-3)andGlycine (CAS no: 56-40-6),it can be concluded thatchemical 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) is unable to cause eye irritation and considered as not irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Justification for classification or non-classification
The skin and eye irritation potential of test chemical2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) and its structurally similar read across substanceswere observed in various studies. The results obtained from these studies indicate that the chemical 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7)is unlikely to cause skin and eye irritation. Hence 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) can be classified under the category “Not Classified” for skin and eye as per CLP.
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