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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
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EC number: - | 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
Acute Toxicity: oral
Some information in this page has been claimed confidential.
Administrative data
- Endpoint:
- acute toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 9th November 2015
- 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 adequate and reliable documentation / justification
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
- Principles of method if other than guideline:
- Background
Methods
i. Profiling - OECD QSAR Toolbox (v3.3)
ii. DEREK NEXUS (v.4.1.0)
iii. VegaNIC (v.1.1.1)
iv. TOPKAT (Discovery Studio client 3.1)
v. ACD/ToxSuite 2.95
vi. ECOSAR (v.1.11) - GLP compliance:
- no
- Test type:
- other: QSAR
Test material
- Test material form:
- liquid
- Details on test material:
- Chemical Name: N-[2-(2-Hydroxyethoxy)ethyl]acetamide
CAS No.: 118974-46-2
Batch: 27191705
Purity: 82% (dose calculation was adjusted to puriy)
Appearance: Pale to yellow liquid
Expiry Date: 16 June 2017
Storage Conditions: At room temperature
Stability in Solvent: Stable in water (not quantified)
Purpose of Use: Industrial chemical
Constituent 1
- Specific details on test material used for the study:
- DGA-Acetamide; CAS: 118974-46-2
N-[2-(2-hydroxyethyl)ethyl]acteamide [IUPAC]
Structure: CC(=O)NCCOCCO
Test animals
- Species:
- rat
- Details on test animals or test system and environmental conditions:
- As data is based on QSAR analysis, strain and sex, as well as environmental conditions are are not specified.
Administration / exposure
- Route of administration:
- oral: gavage
Results and discussion
Effect levels
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- >= 5 000 mg/kg bw
- Based on:
- other: This is based on consistent results of QSAR models,
- Remarks on result:
- other: based on QSAR model predictions
Any other information on results incl. tables
Profiling
The various Reactivity profiles in QSAR Toolbox basically show little or no concerns. The only concerns reported are “in vivo mutagenicity (Micronucleus) alerts by ISS” based on “H-acceptor-path3-H-acceptor”. This involves the presence oftwo bonded atoms connecting two H-bond acceptors in the structure, which is rather unspecific. (Most of the l substances showing this alert have negative in vitro mammalian cell micronucleus test results).
There is one additional repeated dose toxicity alert from HESS for renal toxicity. This is based on the structural similarity to Diethylene glycol, which has is known to cause nephrotoxicity. (Dice, atom centered fragment indicate a 58.85% similarity between DGA and Diethylene glycol).
Metabolism of DGA is not expected to occur in large extend. The substance is expected to be poorly absorbed from skin, and relatively rapidly excreted via urine.
On overall, the available information does not support a concern for the formation of Acetamide from DGA-Acetamide. All available reported examples of N-Dealkylation from the aldehyde involve tertiary amine structures, and de-alkylation of (very) short alkyl groups from the amine, and involve structures that involve lipophilic parts, generally aromatic rings. The DGA-Acetamide structure however involves a secondary amine that is negatively linked to this metabolic reaction, a diethylene glycol part rather than a short alkyl chain, and no aromatic or cyclic part.
Hydrolysis by hydrolase activity on the other hand is a commonly observed reaction for amide structures as found in DGA-Acetamide. Actual rate is uncertain, but for metabolic route it is considered more likely.
DEREK:
According to DEREK the structure does not contain specific hazardous elements. More specifically, both genotoxicity and sensitization are predicted to be negative. Based on the di-ethylene glycol moiety in the structures, an alert is fired for possible bone marrow toxicity and nephrotoxicity. Further, ‘Nothing else to report’.
VEGA
VEGA models in general predict low concerns for hazards.
TOPKAT
On overall the TOPKAT models predict DGA to be of low toxicity. Of the many models on carcinogenicity, there is only one resulting to a positive outcome (FDA mouse male), whereas all others are negative. The overall WoE rodent carcinogenetic model predicts ‘Non-Carcinogen’. Other toxicity models show a low toxicity potential. The only hazard predicted is a moderate eye irritation.
ACD/ToxSuite
ACD/ToxSuite also predicts low toxicity. The only potential hazard indicated are possible skin and eye irritation. This is on the basis of comparison to Aliphatic monohydroxy alcohols, that in majority are irritant to skin and eye
ECOSAR
ECOSAR predicts low aquatic toxicity for DGA, based on evaluations both for the QSAR substance categories ‘Amides’ and ‘Neutral organics’.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- QSARs predict an acute LD50 > 5000 mg/kg bw
- Executive summary:
Results from molecular profiling indicate high water solubility, low logPow and reasonable uptake by oral route and probably very limited uptake via dermal route (dermalpenetration coefficientis lower than that of water).
The predicted transformation/metabolism possibilities by QSAR Toolbox (v 4.3) do not list substances of specific concern (specifically not acetamide) among the likely metabolites: Hydrolysis simulation indicate possible split into acetic acid and diglycolamine, or even ethanediol and n-2-hydroxyethylacetamide, but not Acetamide.
On overall, the profiling and QSAR results indicate no interaction to DNA or protein binding, no mutagenicity, no carcinogenicity and a general low toxicity. Only (moderate) ocular irritation has been predicted, although results from available BCOP study indicates a lack of irritating potential.
All in all, a low toxicity profile is indicated for the structure.
The QSAR data for acute (oral) toxicity was assessed in TOPKAT (DiscoveryStudio 2019, Toxicity Prediction) and ACD/ToxSuite (Tox Boxes v 2.9).
TOPKAT models indicate low acute toxicity by both oral and inhalation route in the rat: Oral LD50 rat 5399 mg/kg bw, and Inhalational LC50 in rat is predicted at 5270 mg/m3/h.
ACD/ToxSuite model predicted comparable low toxicity, with a rat oral LD50 value most likely to exceed 5000 mg/kg, and predicts an acute toxicology classification Cat 5 or non-toxic LD50 >2000mg/kg with a high probability score of 0.908.
Based on this information acute oral toxicity testing has not been done. This has also taken into consideration that this substance is sold as a cosmetic ingredient.
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.
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