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EC number: 608-670-1 | CAS number: 31831-53-5
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2011-07-13 - 2011-08-26
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- no
- Type of method:
- flask method
Test material
- Reference substance name:
- 2-Oxepanone, polymer with 1,4-butanediol
- EC Number:
- 608-670-1
- Cas Number:
- 31831-53-5
- Molecular formula:
- l(HO(CH2)5CO)-O(CH2)4O-(CO(CH2)5OH)m
- IUPAC Name:
- 2-Oxepanone, polymer with 1,4-butanediol
- Details on test material:
- Name of test material (as cited in study report): Capa™ 2043
- Substance type: organic
- Physical state: Liquid
- Analytical purity: Mixture(GC purity) 1,4-butandiol 1.7 % , 1,4-butandiol -1ECL 11.1 %, 1,4-butandiol -2ECL 21.6 %, 1,4-butandiol -3ECL 24.8 %, 1,4-butandiol -4ECL 20.6 %, 1,4-butandiol -5ECL 12.9 %, 1,4-butandiol -6ECL 5.9 %, 1,4-butandiol -7ECL 1.6 %
- Lot/batch No: WNI 342 27/1/09 WAC000378
- Stability under test conditions: good
- Storage condition of test material: room temperature
Constituent 1
Results and discussion
Water solubilityopen allclose all
- Water solubility:
- 6.7 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: Sum of CAPA*; CAPA (0.5g/50ml)
- Water solubility:
- 29 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: Sum of CAPA*; CAPA (5g/50ml)
- Water solubility:
- 0.1 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: 1,4-butandiol, CAPA (0.5g/50ml)
- Water solubility:
- 0.8 g/L
- Temp.:
- 20
- Remarks on result:
- other: 1,4- butandiol, CAPA (5g/50ml)
Any other information on results incl. tables
Flask |
Water Solubility, g/l (CAPA 0.5g/50ml) |
Water Solubility, g/l (CAPA 5g/50ml) |
1 (3 days) |
6.87 (Sum of CAPA*) |
28.6 (Sum of CAPA*) |
1 (6 days) |
6.70 (Sum of CAPA*) |
29.5 (Sum of CAPA*) |
1 (9 days) |
6.64 (Sum of CAPA*) |
29.2 (Sum of CAPA*) |
*Sum of CAPAis the average value of the three oligomers; from 1,4-butandiol-1ECL to 1,4-butandiol-3ECL.
Flask |
pH in water phase(0.5g/50ml) |
pH in water phase(5g/50ml) |
1 (3 days) |
4.4 |
4.0 |
1 (6 days) |
4.9 |
3.9 |
1 (8 days) |
4.5 |
3.9 |
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): soluble (1000-10000 mg/L) and very soluble (> 10000 mg/L)
Water solubility at 20°C is 6.7 g/l (0.5g/50ml) and 29 g/l (5g/50ml) - Executive summary:
CAPA (0.5g/50ml)
CAPA (5g/50ml)
Component
Concentration (g/l)
Concentration (g/l)
Sum of CAPA*
6.7
29
Sum of CAPA is the average value of the three oligomers; from 1,4-butandiol-1ECL to 1,4-butandiol-3ECL.
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