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EC number: 234-165-7 | CAS number: 10576-12-2
- 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 Sensitization:
The skin sensitization potential of (E)-(ethyl N-hydroxyethenecarboximidate)was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor.(E)-(ethyl N-hydroxyethenecarboximidate)was predicted to be not sensitizing to the skin of guinea pigs.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- 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 v3.3 and the QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3
- GLP compliance:
- not specified
- Type of study:
- other: Estimated data
- Justification for non-LLNA method:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name) : (E)-(ethyl N-hydroxyethenecarboximidate)
- Common name : Ethyl N-hydroxyacetimidate, Ethyl Acetohydroximate
- Molecular formula : C4H9NO2
- Molecular weight : 103.12 g/mol
- Smiles notation : C(=N/O)(\OCC)C
- InChl : 1S/C4H9NO2/c1-3-7-4(2)5-6/h6H,3H2,1-2H3
- Substance type : Organic
- Physical state : Liquid - Species:
- guinea pig
- Strain:
- Dunkin-Hartley
- Sex:
- male
- Details on test animals and environmental conditions:
- no data available
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Adequacy of induction:
- not specified
- No.:
- #1
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- 10
- Details on study design:
- no data available
- Challenge controls:
- no data available
- Positive control substance(s):
- not specified
- Positive control results:
- no data available
- Other effects / acceptance of results:
- no data available
- Reading:
- 1st reading
- Group:
- test chemical
- Clinical observations:
- no dermal reactions observed
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- other: Not sensitizing
- Conclusions:
- The skin sensitization potential of (E)-(ethyl N-hydroxyethenecarboximidate) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. (E)-(ethyl N-hydroxyethenecarboximidate) was predicted to be not sensitizing to the skin of male guinea pigs.
- Executive summary:
The skin sensitization potential of (E)-(ethyl N-hydroxyethenecarboximidate)was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor.(E)-(ethyl N-hydroxyethenecarboximidate)was predicted to be not sensitizing to the skin of male guinea pigs.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and "i" )
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and ("p"
and (
not "q")
)
)
and "r" )
and "s" )
and ("t"
and "u" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Ether by Organic
Functional groups
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Ether AND Overlapping
groups by Organic Functional groups (nested)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Azomethine,
aliphatic attach [-N=C] AND Hydroxy, nitrogen attach [-OH] AND Olefinic
carbon [=CH- or =C<] AND Oxime, aliphatic attach [-CH=N-OH] AND Oxygen,
nitrogen attach [-O-] by Organic functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >>
P450 Mediated Activation to Isocyanates or Isothiocyanates >>
Benzylamines-Acylation OR Michael addition OR Michael addition >> P450
Mediated Activation of Heterocyclic Ring Systems OR Michael addition >>
P450 Mediated Activation of Heterocyclic Ring Systems >>
Thiophenes-Michael addition OR Michael addition >> P450 Mediated
Activation to Quinones and Quinone-type Chemicals OR Michael addition >>
P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl
phenols OR Michael addition >> P450 Mediated Activation to Quinones and
Quinone-type Chemicals >> Arenes OR Michael addition >> P450 Mediated
Activation to Quinones and Quinone-type Chemicals >> Hydroquinones OR
Michael addition >> Polarised Alkenes-Michael addition OR Michael
addition >> Polarised Alkenes-Michael addition >> Alpha, beta-
unsaturated amides OR Michael addition >> Polarised Alkenes-Michael
addition >> Alpha, beta- unsaturated esters OR Schiff base formers OR
Schiff base formers >> Chemicals Activated by P450 to Glyoxal OR Schiff
base formers >> Chemicals Activated by P450 to Glyoxal >> Ethanolamines
(including morpholine) OR Schiff base formers >> Chemicals Activated by
P450 to Glyoxal >> Ethylenediamines (including piperazine) OR Schiff
base formers >> Chemicals Activated by P450 to Mono-aldehydes OR Schiff
base formers >> Chemicals Activated by P450 to Mono-aldehydes >>
Benzylamines-Schiff base OR Schiff base formers >> Direct Acting Schiff
Base Formers OR Schiff base formers >> Direct Acting Schiff Base Formers
>> Mono aldehydes 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 azo OR SN1
>> Nitrenium Ion formation >> Aromatic nitro OR SN1 >> Nitrenium Ion
formation >> Primary (unsaturated) heterocyclic amine OR SN1 >>
Nitrenium Ion formation >> Primary aromatic amine OR SN1 >> Nitrenium
Ion formation >> Tertiary (unsaturated) heterocyclic amine OR SN1 >>
Nitrenium Ion formation >> Tertiary aromatic amine OR SN2 OR SN2 >>
Direct Acting Epoxides and related OR SN2 >> Direct Acting Epoxides and
related >> Epoxides OR SN2 >> Epoxidation of Aliphatic Alkenes OR SN2 >>
Epoxidation of Aliphatic Alkenes >> Halogenated polarised alkenes OR SN2
>> P450 Mediated Epoxidation OR SN2 >> P450 Mediated Epoxidation >>
Thiophenes-SN2 OR SN2 >> SN2 at an sp3 Carbon atom OR SN2 >> SN2 at an
sp3 Carbon atom >> Aliphatic halides by DNA binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
by Estrogen Receptor Binding
Domain
logical expression index: "h"
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
Strong binder, NH2 group OR Strong binder, OH group OR Weak binder, NH2
group OR Weak binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "i"
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: "j"
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 by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group C Surface
Tension > 62 mN/m OR (!Undefined)Group CNS Surface Tension > 62 mN/m OR
Exclusion rules not met OR Group All log Kow < -3.1 OR Group All Melting
Point > 200 C OR Group C Aqueous Solubility < 0.0001 g/L OR Group CN
Aqueous Solubility < 0.1 g/L OR Group CN Melting Point > 180 C OR Group
CN Vapour Pressure < 0.001 Pa OR Group CNS log Kow < 0.5 OR Group CNS
log Kow < -2 OR Group CNS Melting Point > 120 C OR Group CNS Melting
Point > 50 C by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "l"
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: "m"
Referential
boundary: The
target chemical should be classified as SN2 OR SN2 >> Nucleophilic
substitution at sp3 carbon atom OR SN2 >> Nucleophilic substitution at
sp3 carbon atom >> (Thio)Phosphates by Protein binding alerts for skin
sensitization by OASIS v1.3
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as H-acceptor-path3-H-acceptor by
in vivo mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as alpha,beta-unsaturated aliphatic
alkoxy group OR No alert found by in vivo mutagenicity (Micronucleus)
alerts by ISS
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N AND Group 16 - Oxygen O by Chemical elements
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Group 15 - Phosphorus P by
Chemical elements
Domain
logical expression index: "r"
Similarity
boundary:Target:
CCOC(C)=NO
Threshold=10%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "s"
Similarity
boundary:Target:
CCOC(C)=NO
Threshold=80%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "t"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.211
Domain
logical expression index: "u"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.19
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Various studieshas been investigated for the test chemical(E)-(ethyl N-hydroxyethenecarboximidate) (CAS No: 10576-12-2)to observe the potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs for target chemical(E)-(ethyl N-hydroxyethenecarboximidate) (CAS No: 10576-12-2) and its closely related read across substanceswith logPow as the primary descriptor N,N-Diethylhydroxylamine (CAS no: 3710-84-7) and Dibutyl ether (CAS no: 142-96-1).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 (E)-(ethyl N-hydroxyethenecarboximidate) (CAS No: 10576-12-2)was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical (E)-(ethyl N-hydroxyethenecarboximidate) (CAS No: 10576-12-2)was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result (E)-(ethyl N-hydroxyethenecarboximidate) (CAS No: 10576-12-2) can be considered to be not sensitizing to Dunkin-Hartley guinea pigs.
The HSDB {U.S. National Library of Medicine National Institutes of Health, Health & Human Services; 2017} and OECD SIDS {Robust Summary & Test Plans: Diethylhydroxylamine: Robust Summary; IUCLID Dataset-OECD SIDS; 2006 JANURY 13} conducted a Buehler test on male guinea pigs of read across chemical N,N-Diethylhydroxylamine (CAS no: 3710-84-7) . In this test,after establishing the highest non-irritating dose concentration, a 3 week induction period was initiated during which 10 young adult, male, guinea pigs were treated with the test material applied as a 30% w/w solution in deionized water and 10 were treated with 0.08% Dinitrochlorobenzene (DNCB) in 95% ethyl alcohol (positive controls). During the induction period the animals were dosed on alternate days until a total of nine dose applications were achieved. Seventeen days after the nine applications a challenge dose was applied to a naive site on each guinea pig and approximately 24 and 48 hours later the animals were scored for a sensitization response (erythema and edema). A naive control group of five animals was maintained under the same environmental conditions and was treated with thewith the test material at challenge only. All guinea pigs appeared active and healthy throughout the test period. There were no signs of gross toxicity, adverse pharmacologic effects or abnormal behavior. All animals gained weight. After 24 and 48 hours, all sites were erythemic, showing a faint to moderate response but no irritation was observed in test and naive groups after challenge. Hence thechemicalN,N-Diethylhydroxylamine (CAS no: 3710-84-7) was considered to be not-sensitizing to the skin of guinea pigs in a Buehler test.
The above results were further supported by an open epicutaneous test of read across chemical Dibutyl ether (CAS no: 142-96-1) reported by OECD SIDS {SIDS Initial Assessment Report For SIAM 22 Paris, France, 18 - 21 April 2006} in Hartley guinea pigs. During the test, the hair on the dorsum was clipped 24 hours before exposure. For induction, the animals received a total application of 50 μl undiluted dibutyl ether with each animal received two 25 μl amounts on separate sites. Five days later, each guinea pig received on virgin sites six challenge applications of 25 μl undiluted aliquots. A rechallenge was performed 9 days after the first challenge. Skin reaction was scored by the method of Draize at 24 and 48 hours after application.The animals did not respond with dermal hypersensitivity reactions when challenged with dibutyl ether. The mean scores 24 hours after day 5 and day 14 challenge were 0.8 and 0.0, respectively. No individual scores were greater than 1.0 (maximum possible score of 8). According to these results, dibutyl ether has no sensitization potency.Thus on the basis of scores, the chemicalDibutyl ether (CAS no: 142-96-1) was considered to be not-sensitizing to the skin of Hartley guinea pigs in an open epicutaneous test.
Thus on the basis of available data for thetarget chemical(E)-(ethyl N-hydroxyethenecarboximidate) (CAS No: 10576-12-2)and its closely related read across substanceswith logPow as the primary descriptor N,N-Diethylhydroxylamine (CAS no: 3710-84-7) and Dibutyl ether (CAS no: 142-96-1),it can be concluded thatchemical (E)-(ethyl N-hydroxyethenecarboximidate) (CAS No: 10576-12-2) 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 (E)-(ethyl N-hydroxyethenecarboximidate) (CAS No: 10576-12-2) and its closely related read across substanceswith logPow as the primary descriptor N,N-Diethylhydroxylamine (CAS no: 3710-84-7) and Dibutyl ether (CAS no: 142-96-1)were observed in various studies. From the results obtained from these studies it is concluded that the chemical (E)-(ethyl N-hydroxyethenecarboximidate) (CAS No: 10576-12-2) is not likely to cause skin sensitization and hence can be classified as non-skin sensitizer.
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