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EC number: 947-972-0 | 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
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 06/04/2018 - 31/05/2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7950 (Vapor Pressure)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- effusion method: isothermal thermogravimetry
Test material
- Reference substance name:
- 2,4,4 TMDI function group 1 + mercaptan, mono-reacted
- IUPAC Name:
- 2,4,4 TMDI function group 1 + mercaptan, mono-reacted
- Reference substance name:
- 2,4,4 TMDI function group 2 + mercaptan, mono-reacted
- IUPAC Name:
- 2,4,4 TMDI function group 2 + mercaptan, mono-reacted
- Reference substance name:
- 2,2,4 TMDI function group 1 + mercaptan, mono-reacted
- IUPAC Name:
- 2,2,4 TMDI function group 1 + mercaptan, mono-reacted
- Reference substance name:
- 2,2,4 TMDI function group 2 + mercaptan, mono-reacted
- IUPAC Name:
- 2,2,4 TMDI function group 2 + mercaptan, mono-reacted
- Reference substance name:
- 2,2,4 bi-reacted compound
- IUPAC Name:
- 2,2,4 bi-reacted compound
- Reference substance name:
- 2,4,4 bi-reacted compound
- IUPAC Name:
- 2,4,4 bi-reacted compound
- Reference substance name:
- 2,4,4-trimethylhexa-1,6-diyl diisocyanate
- EC Number:
- 239-714-4
- EC Name:
- 2,4,4-trimethylhexa-1,6-diyl diisocyanate
- Cas Number:
- 15646-96-5
- Molecular formula:
- C11H18N2O2
- IUPAC Name:
- 1,6-diisocyanato-2,4,4-trimethylhexane
- Reference substance name:
- 2,2,4-trimethylhexa-1,6-diyl diisocyanate
- EC Number:
- 241-001-8
- EC Name:
- 2,2,4-trimethylhexa-1,6-diyl diisocyanate
- Cas Number:
- 16938-22-0
- Molecular formula:
- C11H18N2O2
- IUPAC Name:
- 1,6-diisocyanato-2,2,4-trimethylhexane
- Test material form:
- liquid
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Constituent 5
Constituent 6
Constituent 7
Constituent 8
- Specific details on test material used for the study:
- Identification: Thio Isocyanate Adduct
Appearance: Colourless liquid
Batch: BZA11014
Store at room temperature under nitrogen
Stable under storage conditions until 21 April 2018 (expiry date)
Results and discussion
Vapour pressureopen allclose all
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- >= 0.001 - <= 4.5 Pa
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- >= 0.004 - <= 6.4 Pa
Any other information on results incl. tables
An amount of the test item (ca. 9.5 mg) was applied to the surface of a roughened glass plate as a homogeneous layer, and measurements started.
A weight loss was observed at the starting temperature of the study in the range of 30-50 °C, and the observed weight losses allowed calculating the vapour pressure. According to the results of the preliminary test of the melting and boiling point, the fraction of the test item components with this high volatility was minor. The equation of the curve was: log PT = -2673 x 1/T + 9.77 (r = 0.990, n = 6).
Results of the Vapour pressure Isothermal TGA Analysis
Temperature |
Weight loss |
νT |
log νT |
log PT |
PT |
30 |
4.75328 |
5.67´10-4 |
-3.25 |
0.98 |
9.6 |
4.18426 |
4.99´10-4 |
-3.30 |
0.91 |
8.1 |
|
40 |
8.14700 |
9.72´10-4 |
-3.01 |
1.28 |
19 |
7.25284 |
8.66´10-4 |
-3.06 |
1.22 |
16 |
|
50 |
12.1653 |
1.45´10-3 |
-2.84 |
1.50 |
32 |
11.6219 |
1.39´10-3 |
-2.86 |
1.48 |
30 |
Vapour Pressure of the Test Item (volatile components):
Temperature |
log PT |
PT |
PT |
20 |
0.65 |
4.5 |
3.4´10-2 |
25 |
0.81 |
6.4 |
4.8´10-2 |
Weight losses were also determined in the range of 100 °C and 130 °C. The weight losses determined in this range however were not reliable for the determination of the vapour pressure: the vapour pressure regression curve of the log PTof the test item as function of the reciprocal temperatures had a correlation coefficient of r < 0.99. The weight losses were compared to those of hexachlorobenzene: at 100 °C and 110 °C, the weight loss of the test item was higher than those of hexachlorobenzene, and at 120 °C and 130 °C the weight loss of the test item was lower than the weight loss of the reference compound. Therefore it was concluded that a part of the test item had a vapour pressure in the range of hexachlorobenzene.
Results of the Vapour pressure Isothermal TGA Analysis
Temperature |
Weight loss |
νT |
log νT |
log PT |
PT |
100 |
15.4840 |
1.85´10-3 |
-2.73 |
1.64 |
43 |
17.7167 |
2.11´10-3 |
-2.67 |
1.71 |
52 |
|
110 |
18.5917 |
2.22´10-3 |
-2.65 |
1.74 |
55 |
22.8252 |
2.72´10-3 |
-2.56 |
1.85 |
71 |
|
120 |
17.5492 |
2.09´10-3 |
-2.68 |
1.71 |
51 |
21.1743 |
2.53´10-3 |
-2.60 |
1.81 |
65 |
|
130 |
16.8970 |
2.02´10-3 |
-2.70 |
1.69 |
49 |
16.2149 |
1.94´10-3 |
-2.71 |
1.66 |
46 |
Vapour pressure of a part of the Test Item(less volatile components)
20°C |
25°C |
||
[Pa] |
[mm Hg] |
[Pa] |
[mm Hg] |
1´10-3 |
1´10-5 |
4´10-3 |
3´10-5 |
Applicant's summary and conclusion
- Conclusions:
- The test item is a UVCB with components of very different volatility. The vapour pressure of a part of the test item at 20 °C (293 K) and 25 °C (298 K) was 1x10-3 to 4.5 Pa and 4x10-3 to 6.4 Pa, respectively.
- Executive summary:
The vapour pressure of the test item was calculated according to EC Method A.4, OECD 104 and OPPTS 830.7950. The test item is a UVCB with components of very different volatilities. The vapour pressure of a part of the test item at 20 °C (293 K) and 25 °C (298 K) was 1x10-3 to 4.5 Pa and 4x10-3 to 6.4 Pa, respectively.
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