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EC number: 219-919-5 | CAS number: 2571-88-2
- 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
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The amine oxides were synthesised by oxidation of the corresponding trialkylamine with H2O2. After oxidation and isolation the products were thoroughly dried by azeotropic distillation with benzene and toluene followed by multiple crystallisations (4-5 times) from dry Me2CO and dried over P4O10 in a high vacuum. The purity was checked by TLC and IR spectra.
- GLP compliance:
- no
- Type of method:
- other: method not specified, however a capllary method was used for shorter chain length amine oxides
- Melting / freezing pt.:
- >= 133 - <= 136 °C
- Atm. press.:
- ca. 1 013 hPa
- Remarks on result:
- other: C10 Amine Oxides
- Melting / freezing pt.:
- >= 130 - <= 134 °C
- Atm. press.:
- ca. 1 013 hPa
- Remarks on result:
- other: C12 Amine Oxides
- Melting / freezing pt.:
- >= 125 - <= 129 °C
- Atm. press.:
- ca. 1 013 hPa
- Remarks on result:
- other: C14 Amine Oxides
- Melting / freezing pt.:
- >= 126 - <= 130 °C
- Atm. press.:
- ca. 1 013 hPa
- Remarks on result:
- other: C16 Amine Oxide
- Conclusions:
- A study is described in the literature [Devinsky et al 1985] where the authors measured the melting points of the pure alkyl dimethylamine oxide constituents of the substance. The melting points ranged from 126-130 °C for C16 amine oxide to 133-136 °C for C10 amine oxide. Regarding these tempereature range, Aliphatic Amine Oxides undergo thermal decomposition between 90 and 200°C, and Cope elimination in the temperature range 150-200° C (formation of an olefin and a hydroxylamine by pyrolysis of an AO). As a consequence, melting is likely to be accompanied by decomposition.
- Executive summary:
A study is described in the literature [Devinsky et al 1985] where the authors measured the melting points of the pure alkyl dimethylamine oxide constituents of the substance. The melting points ranged from 126-130 °C for C16 amine oxide to 133-136 °C for C10 amine oxide. Regarding these tempereature range, Aliphatic Amine Oxides undergo thermal decomposition between 90 and 200°C, and Cope elimination in the temperature range 150-200° C (formation of an olefin and a hydroxylamine by pyrolysis of an AO). As a consequence, melting is likely to be accompanied by decomposition.
- Endpoint:
- melting point/freezing point
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE AND MODEL
OPERA-Model for Melting Point
OPERA v1.5
2. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : C(CCCCCCCCCCCCCCC)CC[N+](C)(C)[O-]
NAME : N,N-Dimethyl-1-octadecanamine-N-oxide
CAS Number : 2571-88-2
3. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See QMRF_MeltingPoint_C18AmineOxide-OPERA_Q17-11-0015
4. APPLICABILITY DOMAIN
See QMRF_MeltingPoint_C18AmineOxide-OPERA_Q17-11-0015 - Guideline:
- other: REACH guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: OPERA-model for Melting Point
- Model(s) used: v1.5 (2016)
- Model description: see field 'Justification for type of information"
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES : C(CCCCCCCCCCCCCCC)CC[N+](C)(C)[O-]
- Key result
- Melting / freezing pt.:
- ca. 147 °C
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- OPERA predicted that N,N-Dimethyl-1-octadecanamine-N-oxideh has a Melting point = 147 °C
- Executive summary:
OPERA predicted that N,N-Dimethyl-1-octadecanamine-N-oxideh has a Melting point = 147 °C
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 2018-2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.1 (Melting / Freezing Temperature)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7200 (Melting Point / Melting Range)
- GLP compliance:
- no
- Type of method:
- capillary method
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 8110028
- Expiration date of the lot/batch :-
- Manufacturing date: -
- Storage condition: Room temperature, not above 35 °C - Key result
- Melting / freezing pt.:
- > -1 - < 1 °C
- Atm. press.:
- 1 005 hPa
- Decomposition:
- yes
- Conclusions:
- A study is conducted according to OECD TG 102, EU Method A.1, in order to determine the rmeltingpoint of the test item. On the basis of QSAR approach a value of 147°C is expected. The study record will be updated as soon as the results will become available (January 2019).
- Executive summary:
A study is currently conducted according to OECD TG 102, EU Method A.1, in order to determine the rmeltingpoint of the test item. On the basis of C12 -18 Amine Oxide data, the melting point range is between 1°C to +1°C at atmospheric pressure.
.
Referenceopen allclose all
Aliphatic Amine Oxides undergo thermal decomposition between 90 and 200°C, and Cope elimination in the temperature range 150-200° C (formation of an olefin and a hydroxylamine by pyrolysis of an AO). As a consequence, melting is likely to be accompanied by decomposition.
OPERA predicted that N,N-Dimethyl-1-octadecanamine-N-oxideh has a Melting point = 147 °C
Description of key information
A study is conducted according to OECD TG 102, EU Method A.1, in order to determine the melting point of N,N-Dimethyl-1-octadecanamine-N-oxide. The range of melting point is -1°C to +1°C at atmospheric condition. However, this test is not on the substance but on mixture (amine oxides are procuded and transported in aqueous solutions thata are 25 -35% concentration) and it cannot be representative of the substance melting point.
Two other studies, based one on the QSAR approach (OPERA) and the other on the bibliographic source, indicate that the Amine Oxides melting points is ranged from 126-136 °C and N,N-Dimethyl-1-octadecanamine-N-oxide has a Melting Point: of 147 °C.
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 147 °C
Additional information
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.
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