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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
The skin sensitization potential of 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The substance 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation
- Remarks:
- 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
- Type of study:
- guinea pig maximisation test
- Justification for non-LLNA method:
- 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:
- guinea pig
- Strain:
- Dunkin-Hartley
- Sex:
- male/female
- Details on test animals and environmental conditions:
- No data available
- Route:
- intradermal and epicutaneous
- Vehicle:
- not specified
- Concentration / amount:
- No data available
- Day(s)/duration:
- No data available
- Adequacy of induction:
- not specified
- No.:
- #1
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Concentration / amount:
- No data available
- Day(s)/duration:
- 72 hours
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- 20
- Reading:
- 1st reading
- Hours after challenge:
- 72
- Group:
- test chemical
- Dose level:
- No data available
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Clinical observations:
- No skin sensitization was observed.
- Remarks on result:
- no indication of skin sensitisation
- Cellular proliferation data / Observations:
- No skin sensitization was observed.
- Interpretation of results:
- other: Not sensitizing
- Conclusions:
- The substance 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs.
- Executive summary:
The skin sensitization potential of 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The substance 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((((("a"
or "b" or "c" or "d" or "e" )
and "f" )
and "g" )
and ("h"
and (
not "i")
)
)
and "j" )
and "k" )
and "l" )
and "m" )
and "n" )
and "o" )
and "p" )
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and "v" )
)
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 Non binder, non cyclic structure
by Estrogen Receptor Binding
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, MW>500 OR Non binder, without OH or NH2 group OR
Weak binder, NH2 group by Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3 ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "m"
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: "n"
Similarity
boundary:Target:
Cl_CN(C)CC(O)=O
Threshold=10%,
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"
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: "q"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "r"
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: "s"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Ketones by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "u"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -6.2
Domain
logical expression index: "v"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.236
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization:
Various studieshas been investigated for the test chemical2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) to observe the potential for skin sensitization 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;
The skin sensitization potential of 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The substance 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs.
The Cosmetic Ingredient Review Expert Panel {International Journal of Toxicology; 2012 Jul-Aug;31(4 Suppl):5S-76S} conductedskin sensitization study for read across substanceAdipic acid (CAS no: 124-04-9) in group of ten guinea pigs that supports the above mentioned result. For induction, 0.1ml of 1% aqueous solution of adipic cid was given as a sacral intradermal injection, once a week for 4 weeks. After a rest period of 2 weeks, animals were challenged with 0.05ml of 5% of adipic acid in propylene glycol. None of the treated guinea pig induced skin sensitization reaction. Hence the chemical Adipic acid (CAS no: 124-04-9)was considered to be not sensitizing to the skin of guinea pigs.
The above results were further supported by the Human Repeated Insult Patch Test of read across chemical Glycine (CAS no: 56-40-6) conducted in 104 patients under occlusive condition by Cosmetic Ingredient Review Expert Panel {International Journal of Toxicology; 2013 Nov-Dec;32(6 Suppl):41S-64S}. When the chemical was tested at a dose of 2% in moisturizer under occlusive condition, no skin sensitization effects were observed. Hence the chemical Glycine (CAS no: 56-40-6)was considered to the skin of 104 patients in aHuman Repeated Insult Patch Test.
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 sensitization and considered as non-skin sensitizer.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The skin sensitization potential of test substance 2-(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) were observed in various studies. From the results obtained from these studies it is concluded that the chemical 2-(dimethylamino)acetic acid hydrochloride (CAS NO: 2491-06-7) is not likely to cause skin sensitization and hence can be classified as non-skin sensitizer.
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