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Diss Factsheets
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EC number: 825-356-1 | CAS number: 2097729-23-0
- 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
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Half-life in air estimated using the EPIsuite QSAR
- Justification for type of information:
- QSAR prediction
- Guideline:
- other:
- Principles of method if other than guideline:
- The Atmospheric Oxidation Program for Microsoft Windows (AOPWIN) estimates the rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals. It also estimates the rate constant for the gas-phase reaction between ozone and olefinic/acetylenic compounds. The rate constants estimated by the program are then used to calculate atmospheric half-lives for organic compounds based upon average atmospheric concentrations of hydroxyl radicals and ozone.
- GLP compliance:
- no
- Reaction with:
- OH radicals
- Rate constant:
- 0 cm³ molecule-1 s-1
- Remarks on result:
- other: C18: equals half-life of 6.123 hours
- Reaction with:
- OH radicals
- Rate constant:
- 115.9 cm³ molecule-1 s-1
- Remarks on result:
- other: C18=: Equals half-flife of 3.32 hours
- Conclusions:
- In the atmosphere C16-18 (evennumbered, C18 unsaturated) alkyl bis(2-hydroxyethyl) amine oxide is likely to be degraded by reaction with hydroxyl radicals. The half-life in air is calculated using the EPIsuite QSAR using the advised 500000 OH-radicals/cm3 to be 6.12h for the C18 and 3.32 hours for the C18= constituent.
- Executive summary:
In the atmosphere C16-18 (evennumbered, C18 unsaturated) alkyl bis(2-hydroxyethyl) amine oxide is likely to be degraded by reaction with hydroxyl radicals. Degradation rates for some components were calculated with the Atmospheric Oxidation Programme based on structure activity relationships developed by Atkinson (1987). With a concentration of 500,000 OH-radicals/cm3, degradation half-lives of 6.12 h for the octadecyl derivative and 3.32 h for the cis-isomer of the oleyl derivative were calculated. For the exposure calculations, the worst-case of 6.12 h can be used. Because there are no important releases into the atmosphere and volatilisation is expected to be negligible, this removal mechanism is thought to be of low relevance.
Reference
AOP Program (v1.92) Results:
===========================
SMILES : CCCCCCCCCCCCCCCCCCN(CCO)(CCO)(=O)
CHEM : C18 alkyl bis(2-hydroxyethyl) amine oxide
MOL FOR: C22 H47 N1 O3
MOL WT : 373.63
------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --------
Hydrogen Abstraction = 62.6056 E-12 cm3/molecule-sec
**Reaction with N, S and -OH = 0.2800 E-12 cm3/molecule-sec
Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Aromatic Rings = 0.0000 E-12 cm3/molecule-sec
Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 62.8856 E-12 cm3/molecule-sec
HALF-LIFE = 0.510 Days (12-hr day; 0.5E6 OH/cm3)
HALF-LIFE = 6.123 Hrs
AOP Program (v1.92) Results:
===========================
SMILES : CCCCCCCCC=CCCCCCCCCN(CCO)(CCO)(=O)
CHEM : C18= alkyl bis(2-hydroxyethyl) amine oxide
MOL FOR: C22 H45 N1 O3
MOL WT : 371.61
------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --------
Hydrogen Abstraction = 59.2511 E-12 cm3/molecule-sec
**Reaction with N, S and -OH = 0.2800 E-12 cm3/molecule-sec
Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Olefinic Bonds = 56.4000 E-12 cm3/molecule-sec [Cis-isomer]
Addition to Olefinic Bonds = 64.0000 E-12 cm3/molecule-sec [Trans-isomer]
Addition to Aromatic Rings = 0.0000 E-12 cm3/molecule-sec
Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 115.9311 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 123.5311 E-12 cm3/molecule-sec [Trans-isomer]
HALF-LIFE = 3.321 Hrs (12-hr day; 0.5E6 OH/cm3) [Cis-isomer]
HALF-LIFE = 3.117 Hrs (12-hr day; 0.5E6 OH/cm3) [Trans-isomer]
........................ ** Designates Estimation(s) Using ASSUMED Value(s)
------------------- SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) -----------
OVERALL OZONE Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]
OVERALL OZONE Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]
HALF-LIFE = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
HALF-LIFE = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Description of key information
Degradation rate constants and half-lifes have been calculated with AOP for C16-18 (evennumbered, C18 unsaturated) alkyl bis(2-hydroxyethyl) amine oxide. The half-life as calculated for the C18 derivative of 6.12 h can be used for risk assessment.
Key value for chemical safety assessment
- Half-life in air:
- 6.12 h
- Degradation rate constant with OH radicals:
- 0 cm³ molecule-1 s-1
Additional information
In the atmosphere C16-18 (evennumbered, C18 unsaturated) alkyl bis(2-hydroxyethyl) amine oxideis likely to be degraded by reaction with hydroxyl radicals. Degradation rates for some components were calculated with the Atmospheric Oxidation Programme based on structure activity relationships developed by Atkinson (1987). With a concentration of 500,000 OH-radicals/cm3, degradation half-lives of 6.12 h for the octadecyl derivative and 3.32 h for the cis-isomer of the oleyl derivative were calculated. For the exposure calculations, the worst-case of 6.12 h can be used. Because there are no important releases into the atmosphere and volatilisation is expected to be negligible, this removal mechanism is thought to be of low relevance.
Direct photolysis of alkyl-1,3-diaminopropanes in air will not occur, because it does not absorb UV radiation above 290 nm .Photo transformation in air is therefore assumed to be negligible.
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