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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2011-07-04 - 2011-08-24
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012

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

Constituent 1
Chemical structure
Reference substance name:
2-Oxepanone, polymer with 1,6-hexanediol
EC Number:
609-271-5
Cas Number:
36609-29-7
Molecular formula:
l(HO(CH2)5CO)-O(CH2)6O-(CO(CH2)5OH)m
IUPAC Name:
2-Oxepanone, polymer with 1,6-hexanediol
Details on test material:
Name of test material (as cited in study report): Capa 2047A, (2-Oxepanone, polymer with 1,6-hexanediol)
- Substance type: organic
- Physical state: Liquid
- Analytical purity: Mixture(GC purity %)
1,6-hexanediol; 2.3 %
1,6-hexanediol -1ECL; 13.4 %
1,6-hexanediol -2ECL; 22.9 %
1,6-hexanediol -3ECL; 23.4 %
1,6-hexanediol -4ECL ; 17.3 %
1,6-hexanediol -5ECL; 14.3 %
1,6-hexanediol -6ECL; 5.4 %
1,6-hexanediol -7ECL; 1.0 %-
Lot/batch No: WNI 14 29/9/07, WAN 000058
- Stability under test conditions: good
- Storage condition of test material: room temperature

Results and discussion

Water solubilityopen allclose all
Water solubility:
6.1 g/L
Temp.:
20 °C
Remarks on result:
other: Sum of CAPA*; CAPA (0.5g/50ml) (*Sum of CAPA is the average value of the two oligomers; from 1,6-hexandiol-1ECL to 1,6-hexandiol-2ECL)
Water solubility:
19 g/L
Temp.:
20 °C
Remarks on result:
other: Sum of CAPA*; CAPA ( 5g/50ml) (*Sum of CAPA is the average value of the two oligomers; from 1,6-hexandiol-1ECL to 1,6-hexandiol-2ECL)
Water solubility:
0.3 g/L
Temp.:
20 °C
Remarks on result:
other: 1,6-hexandiol, CAPA (0.5g/50ml)
Water solubility:
2 g/L
Temp.:
20 °C
Remarks on result:
other: 1,6-hexandiol, 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)

6.08 (Sum of CAPA*)
0.25 (
1,6-hexandiol)

19.1 (Sum of CAPA*)
2.01 (1,6-hexandiol)

1 (6 days)

6.07 (Sum of CAPA*)
0.25 (
1,6-hexandiol)

19.5 (Sum of CAPA*)
2.13 (1,6-hexandiol)

1 (9 days)

6.21 (Sum of CAPA*)
0.26 (
1,6-hexandiol)

19.3 (Sum of CAPA*)
2.03 (1,6-hexandiol)

*Sum of CAPA is the average value of the two oligomers; from 1,6-hexandiol-1ECL to 1,6-hexandiol-2ECL.

Flask

pH in water phase(0.5g/50ml)

pH in water phase(5g/50ml)

1 (3 days)

4.2

4.2

1 (6 days)

4.2

4.1

1 (8 days)

4.1

4.1

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): soluble (1000-10000 mg/L) and very soluble (> 10000mg/L)
Water solubility at 20°C is 6.1 g/l (0.5g/50ml) and 19 g/l (5g/50ml)
Executive summary:

Water solubility at 20°C is 6.1 g/l (0.5g/50ml) and 19 g/l (5g/50ml)