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Diss Factsheets
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EC number: 273-066-3 | CAS number: 68937-41-7
- 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
Explosiveness
Administrative data
Link to relevant study record(s)
- Endpoint:
- explosive properties of explosives
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 23 June - 23 June 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Follows sounds scientific evaluation based on structure.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The oxygen balance is calculated from the empirical formula of the compound in percentage of oxygen required for complete conversion of carbon to carbon dioxide and hydrogen to water.
- GLP compliance:
- no
- Other quality assurance:
- other: Conducted in compliance with ISO 9001 accreditation
- Parameter:
- other: More sensitive to shock than m-dinitrobenzene
- Remarks:
- migrated information
- Remarks on result:
- other: no data
- Parameter:
- other: More sensitive to friction than m-dinitrobenzene
- Remarks:
- migrated information
- Remarks on result:
- other: no data
- Parameter:
- other: Explosive under influence of flame
- Remarks:
- migrated information
- Remarks on result:
- other: no data
- Parameter:
- other: Explosive (not specified)
- Remarks:
- migrated information
- Remarks on result:
- negative (not further specified)
- Interpretation of results:
- non explosive
- Remarks:
- Migrated information
- Conclusions:
- The results indicate that on the basis of oxygen balance, there is a variable propensity towards explosivity. However, based on the guidance, oxygen balance needs not be considered if no structural alerts are present. Based on the information and review of the registered substance, it is deemed not to be potentially explosive, based on the chemical structure and oxygen balance values.
- Executive summary:
Calculation based on structure and oxygen balance was carried out and determined that the registered substance was not potentially explosive. In accordance with EU-REACH regulations no further study needs to be carried out.
Reference
The structure presented has no structural groups associated with the substance that are indicative of explosivity. As the substance is deemed to be a multicomponent mixture, assessment of oxygen balance values of the smallest and largest theoretical molecules has been undertaken. The results of this indicate that on the basis of oxygen balance, there is a variable propensity towards explosivity. However, based on the guidance, oxygen balance needs not be considered if no structural alerts are present. Based on the information and review of the above substance, it is deemed not to be potentially explosive, based on the chemical structure and oxygen balance values.
Structural Group Evaluation:
Group |
Identity |
Present? |
Colour Identifier |
-O-O- |
Inorganic and organic peroxides |
No |
|
R-C(O)C-R |
Epoxides |
No |
|
-O-O-O- |
Inorganic and organic Ozinides |
No |
|
-OClO2 |
Inorganic and organic chlorates |
No |
|
-OClO3 |
Inorganic and organic perchlorates |
No |
|
-N-X2 |
Where X is a halogen |
No |
|
R-ON=O, -ONO2 |
Inorganic and organic nitro compounds |
No |
|
R-N=O, R2-N-N=O |
Inorganic and organic nitroso compounds |
No |
|
-N=N- |
Azo |
No |
|
R-N2 |
Diazo |
No |
|
-N=N=N- |
Azides |
No |
|
R-N=N-N=N-R |
Tetrazole |
No |
|
R-N=N-N-R |
Triazene |
No |
|
.-C=N-O-M |
Fulminates |
No |
|
R-C≡C- , -C≡C-M |
Acetylene and metal acetylides |
No |
|
M-C |
Metal alkyl |
No |
|
Based on structural groups, is the substance potentially explosive? |
NO |
Oxygen Balance Calculation for Substance Molecular Formula: C27 H33 O4 P:
From Molecular Formula |
No of atoms |
Atomic weight |
Total molecular mass |
Carbon |
27 |
12.011 |
324.297 |
Hydrogen |
33 |
1.0079 |
33.2607 |
Oxygen |
4 |
15.9994 |
63.9976 |
Nitrogen |
0 |
14.0067 |
0 |
Sulphur |
0 |
32.06 |
0 |
Fluorine |
0 |
18.998403 |
0 |
Chlorine |
0 |
35.453 |
0 |
Bromine |
0 |
79.904 |
0 |
Iodine |
0 |
126.9045 |
0 |
Phosphorus |
1 |
30.97376 |
30.97376 |
|
|
MW of M |
|
Metal Ion 1 |
0 |
0 |
0 |
Metal Ion 2 |
0 |
0 |
0 |
Substance Molecular Weight |
452.53 |
||
Oxygen Balance (%) = |
-235.12 |
||
Potentially Explosive based on OB (< -200%)? |
No |
Oxygen Balance Calculation for Substance Molecular Formula:C9 H11 O4 P:
From Molecular Formula |
No of atoms |
Atomic weight |
Total molecular mass |
Carbon |
9 |
12.011 |
108.099 |
Hydrogen |
11 |
1.0079 |
11.0869 |
Oxygen |
4 |
15.9994 |
63.9976 |
Nitrogen |
0 |
14.0067 |
0 |
Sulphur |
0 |
32.06 |
0 |
Fluorine |
0 |
18.998403 |
0 |
Chlorine |
0 |
35.453 |
0 |
Bromine |
0 |
79.904 |
0 |
Iodine |
0 |
126.9045 |
0 |
Phosphorus |
1 |
30.97376 |
30.97376 |
|
|
MW of M |
|
Metal Ion 1 |
0 |
0 |
0 |
Metal Ion 2 |
0 |
0 |
0 |
Substance Molecular Weight |
214.16 |
||
Oxygen Balance (%) = |
-145.69 |
||
Potentially Explosive based on OB (< -200%)? |
Yes |
Description of key information
Explosivity.
Key value for chemical safety assessment
- Explosiveness:
- non explosive
Additional information
There are no chemical groups associated with explosive properties present in the molecule, and the oxygen balance value is not considered to support explosivity.
Justification for classification or non-classification
Classification according to GHS
Name: Phenol, isopropylated phosphate (3:1)
State/form of the substance:Liquid
Reason for no classification:conclusive but not sufficient for classification
Classification according to DSD / DPD
Name: Phenol, isopropylatedphosphate (3:1)
State/form of the substance:Liquid
Reason for no classification:conclusive but not sufficient for classification
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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