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Diss Factsheets
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EC number: 947-340-4 | 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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- 1. SOFTWARE
EPI (Estimation Programs Interface) Suite, EPA’s and Syracuse Research Corp. (SRC)
2. MODEL (incl. version number)
HYDROWIN v2.00
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=C(OCCO)CC(C(=O)OCCO)CP2(=O)Oc3c(c1c2cccc1)cccc3
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: hydrolysis rate constant
- Unambiguous algorithm: Esters: log Kb = 0.92Es{R1} + 0.31Es{R2} + 2.16 sigma*{R1} + 2.30 sigma*{R2} + 2.10 sigmaX{R1} + 1.25 sigmaX{R2} + 2.67
where Es is the steric factor at the designated position, sigma* is the Taft constant at the designated position, and sigmaX is the Hammett constant at the designated position.
5. APPLICABILITY DOMAIN
- Descriptor domain: esters
- Similarity with analogues in the training set: ester groups
6. ADEQUACY OF THE RESULT
Following half-lifes were calculated:
Kb Half-Life at pH 8: 132.459 days
Kb Half-Life at pH 7: 3.627 years
It is concluded that Bis(2-hydroxyethyl)(6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxide will not hydrolyze at envirinmental relevant pH. The estimated half-life is > 16 days. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Calculation based on HYDROWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
The program HYDROWIN calculates a base-catalyzed rate constant for esters from the following equation:
log Kb = 0.92Es{R1} + 0.31Es{R2} + 2.16 sigma*{R1} + 2.30 sigma*{R2} + 2.10 sigmaX{R1} + 1.25 sigmaX{R2} + 2.67
where Es is the steric factor at the designated position, sigma* is the Taft constant at the designated position, and sigmaX is the Hammett constant at the designated position. - GLP compliance:
- no
- Estimation method (if used):
- HYDROWIN calculates a base-catalyzed rate constant for esters from the following equation:
log Kb = 0.92Es{R1} + 0.31Es{R2} + 2.16 sigma*{R1} + 2.30 sigma*{R2} + 2.10 sigmaX{R1} + 1.25 sigmaX{R2} + 2.67
where Es is the steric factor at the designated position, sigma* is the Taft constant at the designated position, and sigmaX is the Hammett constant at the designated position.
The ester equation regression had the following statistics (Mill et al, 1987):
number = 124
correlation coef (r) = 0.982
correlation coef (r2) = 0.965 - Transformation products:
- not specified
- Key result
- pH:
- 7
- Temp.:
- 20 °C
- DT50:
- 3.627 yr
- Type:
- not specified
- Key result
- pH:
- 8
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.061 s-1
- DT50:
- 132.5 d
- Type:
- not specified
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Following half-lifes were calculated:
Kb Half-Life at pH 8: 132.459 days
Kb Half-Life at pH 7: 3.627 years
It is concluded that Bis(2-hydroxyethyl)(6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxide will not hydrolyze at envirinmental relevant pH. The estimated half-life is > 16 days. - Executive summary:
Following half-lifes were calculated:
Kb Half-Life at pH 8: 132.459 days
Kb Half-Life at pH 7: 3.627 years
It is concluded that Bis(2-hydroxyethyl)(6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxide will not hydrolyze at envirinmental relevant pH. The estimated half-life is > 16 days.
Reference
Description of key information
Calculation based on HYDROWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA:
Following half-lifes were calculated:
Kb Half-Life at pH 8: 132.459 days
Kb Half-Life at pH 7: 3.627 years
It is concluded that Bis(2-hydroxyethyl)(6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxide will not hydrolyze at envirinmental relevant pH. The estimated half-life is > 16 days.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 3.6 yr
- at the temperature of:
- 25 °C
Additional information
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