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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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: screening tests
- 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:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Principles of method if other than guideline:
- The data is predicted using the OECD QSAR toolbox version 3.3 with logKow as the primary descriptor.
- 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 - Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: Microorganisms
- Details on inoculum:
- No data available
- Duration of test (contact time):
- 28 d
- Based on:
- not specified
- Parameter followed for biodegradation estimation:
- other: BOD
- Details on study design:
- No data available
- Key result
- Parameter:
- other: BOD
- Value:
- 76
- Sampling time:
- 28 d
- Remarks on result:
- other: Other details not known
- Details on results:
- Test substance undergoes 76 % degradation by BOD in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The test chemical 2-(dimethylamino)acetic acid hydrochloride was estimated to be readily biodegradable in water.
- Executive summary:
Biodegradability of 2-(dimethylamino)acetic acid hydrochloride (CAS no. 2491 -06 -7) is predicted using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor. Test substance undergoes 76 % degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 2-(dimethylamino)acetic acid hydrochloride was estimated to be readily biodegradable in water.
Reference
The
prediction was based on dataset comprised from the following
descriptors: BOD
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" )
and "f" )
and "g" )
and "h" )
and "i" )
and "j" )
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and "o" )
and ("p"
and (
not "q")
)
)
and ("r"
and "s" )
)
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 Not calculated by Biodeg BioHC
half-life (Biowin) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Biodegrades Fast by Biodeg
probability (Biowin 5) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Biodegrades Fast by Biodeg
probability (Biowin 6) ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as days - weeks by Biodeg ultimate
(Biowin 3) ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (pH 6.5-7.4) ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Acidic [90,100] AND Basic
[80,90) AND No pKb value by Ionization at pH = 9
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Acidic [0,10) OR Basic [0,10) OR
Basic [90,100] OR No pKa value by Ionization at pH = 9
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules (GSH) by Protein binding potency
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Highly reactive (GSH) OR Highly
reactive (GSH) >> Furamates (MA) by Protein binding potency
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Halogens AND Non-Metals by
Groups of elements
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Alkali Earth by Groups of
elements
Domain
logical expression index: "r"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 45.9
Da
Domain
logical expression index: "s"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 146
Da
Description of key information
Biodegradability of 2-(dimethylamino)acetic acid hydrochloride (CAS no. 2491 -06 -7) is predicted using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor. Test substance undergoes 76 % degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 2-(dimethylamino)acetic acid hydrochloride was estimated to be readily biodegradable in water.
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
Additional information
Biodegradation in water:
Various predicted data for the target compound 2-(dimethylamino)acetic acid hydrochloride (CAS No. 2491-06-7) and supporting weight of evidence studies for its closest read across substance with logKow as the primary descriptor were reviewed for the biodegradation end point which are summarized as below:
In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor, percentage biodegradability of test chemical 2-(dimethylamino) acetic acid hydrochloride was estimated. Biodegradability of 2-(dimethylamino) acetic acid hydrochloride (CAS no. 2491 -06 -7) is predicted using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor. Test substance undergoes 76 % degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 2-(dimethylamino)acetic acid hydrochloride was estimated to be readily biodegradable in water.
In another prediction using the Estimation Programs Interface Suite (EPI suite, 2017), the biodegradation potential of the test compound 2-(dimethylamino)acetic acid hydrochloride (CAS no. 2491 -06 -7) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that the test chemical 2-(dimethylamino)acetic acid hydrochloride is expected to be readily biodegradable.
In a supporting weight of evidence study from peer reviewed journal for RA CAS acetic acid (64-19-7) The test chemical acetic acid was tested for % biodegradation for 7 days at 30 mgC/l concentration by analyzing the decrease of DOC taking benzoic acid as a reference (standard) compound using inoculum obtained from synthetic sewage at concentration of 100 mgC/l using JIS BOD5inorganic medium for 7 days in anaerobic condition 99% biodegradation ratio was obtained. So it is concluded that this test compound is readily biodegradable.
In a supporting weight of evidence study from authoritative databases for RA CAS 144-62-7 (acide oxalique), Biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of test substance acide oxalique (CAS no. 144-62-7). Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of test substance was determined to 37, 100 and 100% by BOD, TOC, and HPLC parameter in 14 days. Thus, based on percentage degradation, acide oxalique is considered to be readily biodegradable in water.
On the basis of above results for target chemical 2-(dimethylamino)acetic acid hydrochloride (CAS No. 2491-06-7) (from OECD QSAR toolbox version 3.3 and EPI suite, 2017) and for its read across substance authoritative from database J-CHECK, and peer reviewed journal it can be concluded that the test substance 2-(dimethylamino)acetic acid hydrochloride can be expected to be readily biodegradable in nature.
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