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Diss Factsheets
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EC number: 203-542-8 | CAS number: 108-01-0
- 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
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Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2019-04-10
- 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
Estimation Programs Interface (EPI) Suite for Microsoft Windows, v4.11 (US EPA, 2012)
2. MODEL (incl. version number)
AOPWIN v1.92a
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CN(C)CCO, See also section 'Test Material'.
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.
5. APPLICABILITY DOMAIN
See attached QPRF.
6. ADEQUACY OF THE RESULT
- The model is scientifically valid (see attached QMRF).
- See attached QPRF for reliability assessment. - Guideline:
- other:
- Version / remarks:
- REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: EpiSuite v4.11
- Model(s) used: AOPWIN v1.92a
- Model description: see field ''Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - Specific details on test material used for the study:
- CN(C)CCO
- Estimation method (if used):
- Photochemical reaction with OH radicals
Concentration of OH radicals: 0.5 x E6,
assuming a 24-hour day
Degradation rate constant: 65.5296 E-12 cm3/molecule-sec
Temperature for which rate constant was calculated: 25°C - Light source:
- sunlight
- Reference substance:
- no
- DT50:
- 0.192 d
- Reaction with:
- OH radicals
- Rate constant:
- 0 cm³ molecule-1 s-1
- Validity criteria fulfilled:
- yes
- Conclusions:
- QSAR-Calculation with EPI-WIN tool of US-EPA (AOPWin, v1.92) was performed. For dimethylaminoethanol an overall OH rate constant (gas-phase reaction constant) of 83.3745 x E-12 cm3/molecules-sec and a half-life of 0.192 days (4.618 hours) was calculated. No ozone reaction as well as no nitrate radical reaction is estimated for the substance.
- Executive summary:
QSAR-Calculation with EPI-WIN tool of US-EPA (AOPWin, v1.92) was performed (Chemservice S.A., 2019). For dimethylaminoethanol an overall OH rate constant (gas-phase reaction constant) of 83.3745 x E-12 cm3/molecules-sec and a half-life of 0.192 days (4.618 hours) was calculated. No ozone reaction as well as no nitrate radical reaction is estimated for the substance.
Reference
SMILES : CN(C)CCO
CHEM :
MOL FOR: C4 H11 N1 O1
MOL WT : 89.14
------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --------
Hydrogen Abstraction = 17.2345 E-12 cm3/molecule-sec
Reaction with N, S and -OH = 66.1400 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 = 83.3745 E-12 cm3/molecule-sec
HALF-LIFE = 0.192 Days (24-hr day; 0.5E6 OH/cm3)
HALF-LIFE = 4.618 Hrs
------------------- SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) -----------
****** NO OZONE REACTION ESTIMATION ******
(ONLY Olefins and Acetylenes are Estimated)
Experimental Database Structure Match:
Chem Name : 2-Dimethylaminoethanol
CAS Number: 000108-01-0
Exper OH rate constant : 90 E-12 cm3/molecule-sec
Exper OH Reference: ATKINSON,R (1989)
Exper Ozone rate constant: --- cm3/molecule-sec
Exper NO3 rate constant : --- cm3/molecule-sec
Description of key information
Degradation rate constant with OH radicals: 83.3745 x E-12 cm³/molecules-sec (Chemservice S.A., 2010, updated 2019).
Key value for chemical safety assessment
- Half-life in air:
- 4.618 h
- Degradation rate constant with OH radicals:
- 0 cm³ molecule-1 s-1
Additional information
The tropospheric half-life of 2 -dimethylaminoethanol was estimated based on a calculation with the scientifically accepted EPI-WIN software AOPWINv1.92 (Chemservice S.A., 2010, updated 2019). The calculation indicates a rapid degradation of the test substance when potentially entering the atmosphere, indicated by a half-life of 0.192 days (4.618 hours) for a 24 h day and 0.128 days (1.539 hours) for a 12 h day. However, the worst case value of 4.618 hours for the 24 h day is included as the key value for chemical safety assessment. It is not expected that the substance will accumulate in the air or be transported in the gaseous phase over long distances. The gas-phase reaction constant (also called overall OH rate constant) is calculated as 83.3745 x E-12 cm³/molecules-sec. For 2 -dimethylaminoethanol no nitrate as well as no ozone reaction is expected.
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