2,4,7,9-Tetramethyldec-5-yne-4,7-diol, ethoxylated

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Justification for type of information:

REPORTING FORMAT FOR THE ANALOGUE APPROACH

1. HYPOTHESIS FOR THE ANALOGUE APPROACH
This read-across is based on the hypothesis that source and target substances have similar toxicological properties because
- they are manufactured from similar precursors under similar conditions
- they share structural similarities with common functional groups: the substances start with an acetylene group as core structure; geminal hydroxyl groups on the alpha carbon atoms; distal to the geminal hydroxyl groups is an isobutyl group (methyl isopropyl); the target substance 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (1.3) is further functionalised with ethylene oxide and has an ethoxylation degree of 1.3; the source substance 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (3.8) has an ethoxylation degree of 3.8
- they have similar physicochemical properties and thus, show a similar toxicokinetic behaviour
- they are expected to undergo similar metabolism: oxidation of the terminal methyl groups to result in alcohol, aldehyde and finally the corresponding acid

Therefore, read-across from the existing toxicity, ecotoxicity, environmental fate and physicochemical studies on the source substances is considered as an appropriate adaptation to the standard information requirements of REACH regulation.

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
see “Justification for read-across” attached to IUCLID section 13

3. ANALOGUE APPROACH JUSTIFICATION
see “Justification for read-across” attached to IUCLID section 13

4. DATA MATRIX
see “Justification for read-across” attached to IUCLID section 13

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across: supporting information

Water solubility:

>= 1 700 - <= 2 890 mg/L

Temp.:

25 °C

Remarks on result:

other: neutral pH

Conclusions:

The water solubility 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (1.3) is interpolated from the data obtained with the source substances 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (3.8) and 2,4,7,9-Tetramethyl-5-decyne-4,7-diol. The interpolated value is approx 2300 mg/L at 25°C.

Key value for chemical safety assessment

Water solubility:

2 300 mg/L

at the temperature of:

25 °C

Additional information

The water solubility 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (1.3) is interpolated from the data obtained with the source substances 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (3.8) and 2,4,7,9-Tetramethyl-5-decyne-4,7-diol. The interpolated value is approx 2300 mg/L at 25°C.