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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2009-08-18
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2009

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:
ε-Caprolactone, oligomeric reaction products with propylidynetrimethanol
EC Number:
500-099-5
EC Name:
ε-Caprolactone, oligomeric reaction products with propylidynetrimethanol
Cas Number:
37625-56-2
Molecular formula:
(C6H14O3)x.C6H10O2 (x=0-6)
IUPAC Name:
2-Oxepanone, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
Details on test material:
- Substance type: organic
- Physical state: liquid

- Analytical purity:
Composition of the substance
GC-area distribution (%)
TMP 2.1 %
TMP-1ECL 9.2 %
TMP-2ECL 17.8 %
TMP-3ECL 22.3 %
TMP-4ECL 21.7 %
TMP-5ECL 18.5 %
TMP-6ECL 8.5 %

- Lot/batch No.: WNI 675 3/3/09
- Storage condition of test material: room temperature

Results and discussion

Water solubilityopen allclose all
Water solubility:
5.1 g/L
Temp.:
20 °C
pH:
> 4.5 - < 4.6
Water solubility:
28 g/L
Temp.:
20 °C
pH:
> 4 - < 4.4

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)

5.09 (Sum of CAPA*)

0.10 (TMP)

 28.5 (Sum of CAPA*)

0.970 (TMP)

1 (6 days)

 5.17 (Sum of CAPA*)

0.10 (TMP)

 27.4 (Sum of CAPA*)

1.015 (TMP)

1 (8 days)

 5.05 (Sum of CAPA*)

0.10 (TMP)

 29.1 (Sum of CAPA*)

0.905 (TMP)

 

CAPA (0.5g/50ml)

CAPA (5g/50ml)

Component

Concentration (g/l)

Concentration (g/l)

Sum of CAPA*

5.1

28

TMP

0.10

0.96

*Sum of CAPA is the average value of the four oligomers; from TMP-1ECL to TMP-4ECL.

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): soluble (1000-10000 mg/L)
soluble (1000-10000 mg/L)
very soluble (> 10000 mg/L)
Depending on the starting concentration of the complex substance
Executive summary:

Depending on the concentration of the substance, the water solubility at 20 °C is 5.1 g/L (0.10 g/L TMP) or 28 g/L (0.96 g/L TMP)