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EC number: 451-190-0 | CAS number: 156558-98-4
- 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
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Valid QSAR model
- Principles of method if other than guideline:
- Calculation based on T.E.S.T version v4.1, consensus method
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Melting / freezing pt.:
- 31.63 °C
- Atm. press.:
- ca. 1 013 hPa
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- Validated QSAR model. The substance is possibly outside of the applicability domain of the model. However, this calculation is used in a weight of evidence approach, in accordance to the REACh Regulation (EC) No 1907/2006, Annex XI General rules for adaptation of the standard testing regime set out in Annexes VII to X, 1.2.
- Justification for type of information:
- Valid QSAR model
- Principles of method if other than guideline:
- Calculation based on T.E.S.T version v4.1, consensus method
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Melting / freezing pt.:
- -10.81 °C
- Atm. press.:
- ca. 1 013 hPa
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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:
- Valid QSAR model
- Principles of method if other than guideline:
- Calculation based on T.E.S.T version v4.1, consensus method
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Melting / freezing pt.:
- 75.19 °C
- Atm. press.:
- ca. 1 013 hPa
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.1 (Melting / Freezing Temperature)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- THE DEPARTMENT OF HEALTH OF THE GOVERNMENT OF THE UNiTED KINGDOM, GOOD LABORATORY PRACTICE, STATEMENT OF COMPLIANCE IN ACCORDANCE WITH DIRECTIVE 88/320 EEC, SafePharm Laboratories Ltd. Analytical Chemistry, P 0 Box No 45, Derby DE1 2BT
- Type of method:
- method to determine freezing temperature
- Key result
- Melting / freezing pt.:
- <= -20 °C
- Atm. press.:
- ca. 1 013 hPa
- Endpoint:
- melting point/freezing point
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Remarks:
- 7 substances available for read across
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- see the attached justification in section 13 for the full details.
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Melting / freezing pt.:
- -80.5 °C
- Remarks on result:
- other: Hatcol 3331
- Key result
- Melting / freezing pt.:
- -80.5 °C
- Remarks on result:
- other: Hatcol 3344
- Key result
- Melting / freezing pt.:
- -80.5 °C
- Remarks on result:
- other: Hatcol 5236
- Key result
- Melting / freezing pt.:
- -10.81 °C
- Remarks on result:
- other: C5FA tetraester
- Key result
- Melting / freezing pt.:
- 31.63 °C
- Remarks on result:
- other: C10FA tetraester
- Key result
- Melting / freezing pt.:
- -20 °C
- Remarks on result:
- other: key, RA-A PE/TMP tetra/tri C5, i-C5, C7, C8, i-C9, C10 ester,
- Key result
- Melting / freezing pt.:
- 75.19 °C
- Remarks on result:
- other: C9iso FA tetraester component
- Conclusions:
- The read across for substance, CAS: 156558-98-4; EC: 451-190-0; is based upon the analogous substances to which basic form, degree of substition of functional groups is not considered to effect the proposed read across for the endpoint of melting/freezing point. The freezing point for the substance based on the mean of the information available is deemed to be -23.64°C.
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 30 September 2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study performed in accordance with OECD & EU test guidelines in compliance with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.1 (Melting / Freezing Temperature)
- GLP compliance:
- yes
- Type of method:
- method to determine freezing temperature
- Key result
- Melting / freezing pt.:
- < -80.5 °C
- Decomposition:
- no
- Sublimation:
- no
- Remarks on result:
- other: Atm. pressure not specified in the study report
- Conclusions:
- In conclusion, the freezing point of Hatcol3331 is < -80.5°C (< 192.65 K).
- Executive summary:
The determination of the freezing temperature of Hatcol 3331 was based on EEC-Directive 92/69 EEC, A.1 "Melting/Freezing temperature (1992) and on OECD Guideline no. 102 "MeltingPoint/Melting Range" (1981).
During the preliminary test it was found that Hatcol 3331 has no defined freezing point or freezing range. With decrease of temperature, the viscosity of Hatcol 3331 increased, without showing a clear phase transition of the liquid into the solid state.
In conclusion, the freezing point of Hatcol 3331 is <-80.5°C (< 192.65 K).
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 30 September 2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study performed in accordance with OECD & EU test guidelines in compliance with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.1 (Melting / Freezing Temperature)
- GLP compliance:
- yes
- Type of method:
- method to determine freezing temperature
- Key result
- Melting / freezing pt.:
- < -80.5 °C
- Remarks on result:
- other: Atm. pressure, Decomposition and Sublimation not specified in the study report.
- Conclusions:
- In conclusion, the freezing point of Hatcol 3344 is < -80.5°C (< 192.65 K).
- Executive summary:
The determination of the freezing temperature of Hatcol 3344 was based on EEC-Directive 92/69 EEC, A.1 "Melting/Freezing temperature” (1992) and on OECD Guideline no. 102 "Melting Point/Melting Range" (1981).
During the preliminary test it was found that Hatcol 3344 has nodefined freezing point or freezing range. With decrease of temperature, the viscosity of Hatcol 3344 increased, without showing a clear phase transition of the liquid into the solid state.
In conclusion, the freezing point of Hatcol 3344 is < -80.5°C (< 192.65 K).
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 30 September 2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study performed in accordance with OECD & EU test guidelines in compliance with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.1 (Melting / Freezing Temperature)
- GLP compliance:
- yes
- Type of method:
- method to determine freezing temperature
- Key result
- Melting / freezing pt.:
- < 80.5 °C
- Decomposition:
- no
- Remarks on result:
- other: Atm. pressure and Sublimation not specified in the study report.
- Conclusions:
- In conclusion, the freezing point of Hatcol 5236 is < -80.5°C (< 192.65 K).
- Executive summary:
The determination of the freezing temperature of Hatcol 5236 was based on EEC-Directive92/69 EEC, A.1"Meltng/Freezing temperature (1992) and on OECO Guideline no.102 "Melting Point/Melting Range" (1981).
During the preliminary test it was found that Hatcol 5236 has no defined freezing point or freezing range. With decrease of temperature, the viscosity of Hatcol 5236 increased, without showing a clear phase transition of the liquid into the solid state.
In conclusion, thefreezing point of Hatcol 5236 is < -80.5°C (< 192.65 K).
Referenceopen allclose all
It is assumed that the melting point data in the training set are generally at ambient pressure, ca. 1013 hPa.
Individual predictions:
Method |
Predicted value [°C] |
Hierarchical clustering |
-46.50 |
Group contribution |
58.39 |
FDA |
47.30 |
Nearest neighbor |
67.33 |
Predictions for the test chemical and for the most similar chemicals in the external test set:
Test set chemicals |
Mean absolute error in °C |
Entire set |
30.21 |
Similarity coefficient ≥ 0.5 |
36.38 |
If similar test chemicals were predicted well relative to the entire test set, one has greater confidence in a predicted value. Here 36.38 is greater than 30.21. The substance is possibly outside of the applicability domain.
It is assumed that the melting point data in the training set are generally at ambient pressure, ca. 1013 hPa.
Individual predictions:
Method |
Predicted value [°C] |
Hierarchical clustering |
-63.63 |
Group contribution |
26.25 |
FDA |
37.47 |
Nearest neighbor |
-43.33 |
Predictions for the test chemical and for the most similar chemicals in the external test set:
Test set chemicals |
Mean absolute error in °C |
Entire set |
30.21 |
Similarity coefficient ≥ 0.5 |
34.26 |
If similar test chemicals were predicted well relative to the entire test set, one has greater confidence in a predicted value. Here 34.26 is greater than 30.21. The substance is possibly outside of the applicability domain.
It is assumed that the melting point data in the training set are generally at ambient pressure, ca. 1013 hPa.
Individual predictions:
Method |
Predicted value [°C] |
Hierarchical clustering |
136.33 |
Group contribution |
0.54 |
FDA |
110.07 |
Nearest neighbor |
53.83 |
Predictions for the test chemical and for the most similar chemicals in the external test set:
Test set chemicals |
Mean absolute error in °C |
Entire set |
30.21 |
Similarity coefficient ≥ 0.5 |
45.48 |
If similar test chemicals were predicted well relative to the entire test set, one has greater confidence in a predicted value. Here 45.48 is greater than 30.21. The substance is possibly outside of the applicability domain.
Results
Cooling data for Determination 1
Time (seconds) |
Temperature (K) |
Time (seconds) |
Temperature (K) |
0 |
294 |
1080 |
270 |
30 |
293 |
1110 |
270 |
60 |
292 |
1140 |
269 |
90 |
291 |
1170 |
269 |
120 |
290 |
1200 |
268 |
150 |
289 |
1230 |
268 |
180 |
288 |
1260 |
267 |
210 |
287 |
1290 |
267 |
240 |
286 |
1320 |
266 |
270 |
285 |
1350 |
266 |
300 |
285 |
1380 |
265 |
330 |
284 |
1410 |
265 |
360 |
284 |
1440 |
264 |
390 |
283 |
1470 |
264 |
420 |
282 |
1500 |
263 |
450 |
281 |
1530 |
263 |
480 |
280 |
1560 |
262 |
510 |
279 |
1590 |
262 |
540 |
279 |
1620 |
261 |
570 |
279 |
1650 |
261 |
600 |
279 |
1680 |
260 |
630 |
278 |
1710 |
260 |
660 |
278 |
1740 |
259 |
690 |
277 |
1770 |
259 |
720 |
277 |
1800 |
258 |
750 |
276 |
1830 |
258 |
780 |
276 |
1860 |
257 |
810 |
275 |
1890 |
257 |
840 |
275 |
1920 |
256 |
870 |
274 |
1950 |
256 |
900 |
274 |
1980 |
255 |
930 |
273 |
2010 |
255 |
960 |
273 |
2040 |
254 |
990 |
272 |
2070 |
254 |
1020 |
272 |
2100 |
253 |
1050 |
271 |
2130 |
253 |
Result: No evidence of solidification or freezing of the test material was observed down to a temperature of 253 ± 0.5 K.
Cooling data for determination 2
Time (seconds) |
Temperature (K) |
Time (seconds) |
Temperature (K) |
0 |
293 |
1080 |
270 |
30 |
293 |
1110 |
270 |
60 |
291 |
1140 |
269 |
90 |
291 |
1170 |
269 |
120 |
290 |
1200 |
269 |
150 |
288 |
1230 |
268 |
180 |
288 |
1260 |
268 |
210 |
287 |
1290 |
267 |
240 |
286 |
1320 |
267 |
270 |
285 |
1350 |
266 |
300 |
284 |
1380 |
266 |
330 |
284 |
1410 |
265 |
360 |
283 |
1440 |
265 |
390 |
283 |
1470 |
264 |
420 |
282 |
1500 |
264 |
450 |
281 |
1530 |
263 |
480 |
281 |
1560 |
263 |
510 |
280 |
1590 |
262 |
540 |
280 |
1620 |
262 |
570 |
279 |
1650 |
261 |
600 |
279 |
1680 |
261 |
630 |
278 |
1710 |
260 |
660 |
278 |
1740 |
260 |
690 |
277 |
1770 |
259 |
720 |
277 |
1800 |
259 |
750 |
276 |
1830 |
258 |
780 |
276 |
1860 |
258 |
810 |
275 |
1890 |
258 |
840 |
275 |
1920 |
257 |
870 |
275 |
1950 |
257 |
900 |
274 |
1980 |
256 |
930 |
274 |
2010 |
256 |
960 |
273 |
2040 |
256 |
990 |
273 |
2070 |
255 |
1020 |
272 |
2100 |
255 |
1050 |
272 |
2130 |
254 |
1080 |
271 |
2280 |
254 |
1110 |
271 |
2310 |
254 |
1140 |
271 |
2340 |
253 |
1170 |
270 |
2370 |
253 |
Result: No evidence of solidification or freezing of the test material was observed down to a temperature of 253 ± 0.5 K.
Overall Result: Less than 253 ± 0.5 K.
Note: Pressure assumed to be normal, ca. 1013 hPa, although not stated in the report.
Table 1. Observations during preliminary test
Temperature°C (K) |
Visual observations after1 hour storage |
Test tube turned up side down |
Visual observations after 2 hours storage |
5.5 (278.65) |
Clear colourless liquid |
No |
Clear colourless liquid |
-19.7 (253.45) |
Clear colourless slightly viscous liquid |
No |
Clear colourless slightly viscous liquid. |
-80.5 (192.65) |
Clear colourless extreme viscous liquid |
Yes |
Clear colourless extreme viscous liquid. The top layer of the test substance flowed downwards. |
During the preliminary test it was found that Hatcol 3331 has no defined freezing point or freezing range. With decrease of temperature, the viscosity of Hatcol 3331 increased, without showing a clear phase transition of the liquid into the solid state.
Preliminary test:
Table 1. Observation during preliminary test
Temperature°C (K) |
Visual observations after 1 hour storage |
Test tube turned upside down |
Visual observation after 2 hours storage |
5.5 (278.65) |
Clear colourless liquid |
No |
Clear colourless liquid |
-19.7 (253.45) |
Clear colourless liquid |
No |
Clear colourless liquid |
-80.5 (192.65) |
Clear colourless viscous liquid |
Yes |
Clear colourless viscous liquid. The test substance flowed downwards |
During the preliminary test it was found that Hatcol 3344 has no defined freezing point or freezing range. With decrease of temperature, the viscosity of Hatcol 3344 increased, without showing a clear phase transition of the liquid into the solid state.
Preliminary test:
Table 1. Observations during preliminary test
Temperature°C (K) |
Visual observations after 1 hour storage |
Test tube turned up side down |
Visual observations after 2 hours storage |
5.5 (278.65) |
Clear light yellow liquid |
No |
Clear light yellow liquid |
-19.7 (253.45) |
Clear light yellow liquid |
No |
Clear light yellow liquid |
-80.5 (192.65) |
Clear light yellow viscous liquid |
Yes |
Clear light yellow viscous liquid. The test substance flowed downwards. |
During the preliminary test it was found that Hatcol 5236 has no defined freezing point or freezing range. With decrease of temperature, the viscosity of Hatcol 5236 increased, without showing a clear phase transition of the liquid into the solid state.
Description of key information
The read across for substance, CAS: 156558-98-4; EC: 451-190-0; is based upon the analogous substances to which basic form, degree of substition of functional groups is not considered to effect the proposed read across for the endpoint of melting/freezing point. The freezing point for the substance based on the mean of the information available is deemed to be -23.64°C.
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- -23.64 °C
Additional information
HATCOL 5236:
During the preliminary test it was found that Hatcol 5236 has no defined freezing point or freezing range. With decrease of temperature, the viscosity of Hatcol 5236 increased, without showing a clear phase transition of the liquid into the solid state. In conclusion, the freezing point of Hatcol 5236 is < -80.5°C (< 192.65 K).
HATCOL 3344:
During the preliminary test it was found that Hatcol 3344 has no defined freezing point or freezing range. With decrease of temperature, the viscosity of Hatcol 3344 increased, without showing a clear phase transition of the liquid into the solid state. In conclusion, the freezing point of Hatcol 3344 is < -80.5°C (< 192.65 K).
HATCOL 331:
During the preliminary test it was found that Hatcol 3331 has no defined freezing point or freezing range. With decrease of temperature, the viscosity of Hatcol 3331 increased, without showing a clear phase transition of the liquid into the solid state. In conclusion, the freezing point of Hatcol 3331 is <-80.5°C (< 192.65 K).
The measured melting point data from a similar substance, PE/TMP tetra/tri C5, i-C5, C7, C8, i-C9, C10 ester (< -20 °C at 1013 hPa), can be regarded as the most reliable data and should be considered to be a close estimate to the melting point of the substance fatty acids, n-pentanoic, n-heptanoic, n-octanoic, n-decanoic and 3,5,5-trimethylhexanoic, tetraesters with pentaerythritol (EC451-190-0). The data was
determined using the freezing temperature method according to EU Method A.1.
The melting point of the substance Pentaerythritol tetraesters of n-C5, n-C7, n-C8, i-C9 and n-C10 fatty acids (EC 451-190-0) was determined by T.E.S.T v4.1, consensus method, for the two exemplary components covering both ends of the substance specification, n-C5 tetra (-10.81 °C) and C10 tetra (31.63 °C) and the component i-C9 tetra (75.19 °C). The predicted data is considered to be ambiguous since the three substances possibly fall outside of the model applicability domain. The lowest value (-10.81 °C) is considered to be the most relevant value and supports the low melting point for the similar substance PE/TMP mixed ester with iC5, iC9, nC7, nC10.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.