Reaction product of 3,5,5-trimethyl-hexanoic acid and 2-methylpropanoic acid and pentaerythritol

pH

Administrative data

Endpoint:

pH

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15 July 2011 - 09 February 2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Study conducted in accordance with International guidelines and in accordance with GLP. All guideline validity criteria were met.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2012

Report date:

2012

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

CIPAC MT 75 (Determination of pH Values)

Version / remarks:

Collaborative International Pesticide Analytical Council, Ltd. (CIPAC) Handbook, “MT 75.3
Determination of pH Values,” CIPAC, Hatching Green, Harpenden, Hertfordshire, England
(1999).

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

Constituent 1

Reference substance name:

3-[(2-methylpropanoyl)oxy]-2,2-bis({[(2-methylpropanoyl)oxy]methyl})propyl 2-methylpropanoate; 3-[(2-methylpropanoyl)oxy]-2,2-bis({[(2-methylpropanoyl)oxy]methyl})propyl 3,5,5-trimethylhexanoate; 3-[(2-methylpropanoyl)oxy]-2,2-bis({[(3,5,5-trimethylhexanoyl)oxy]methyl})propyl 3,5,5-trimethylhexanoate; 3-[(2-methylpropanoyl)oxy]-2-{[(2-methylpropanoyl)oxy]methyl}-2-{[(3,5,5-trimethylhexanoyl)oxy]methyl}propyl 3,5,5-trimethylhexanoate; 3-[(3,5,5-trimethylhexanoyl)oxy]-2,2-bis({[(3,5,5-trimethylhexanoyl)oxy]methyl})propyl 3,5,5-trimethylhexanoate

EC Number:

813-120-0

Cas Number:

1262967-45-2

Molecular formula:

C21H36O8 C26H46O8 C31H56O8 C36H66O8 C41H76O8

IUPAC Name:

3-[(2-methylpropanoyl)oxy]-2,2-bis({[(2-methylpropanoyl)oxy]methyl})propyl 2-methylpropanoate; 3-[(2-methylpropanoyl)oxy]-2,2-bis({[(2-methylpropanoyl)oxy]methyl})propyl 3,5,5-trimethylhexanoate; 3-[(2-methylpropanoyl)oxy]-2,2-bis({[(3,5,5-trimethylhexanoyl)oxy]methyl})propyl 3,5,5-trimethylhexanoate; 3-[(2-methylpropanoyl)oxy]-2-{[(2-methylpropanoyl)oxy]methyl}-2-{[(3,5,5-trimethylhexanoyl)oxy]methyl}propyl 3,5,5-trimethylhexanoate; 3-[(3,5,5-trimethylhexanoyl)oxy]-2,2-bis({[(3,5,5-trimethylhexanoyl)oxy]methyl})propyl 3,5,5-trimethylhexanoate

Test material form:

liquid

Specific details on test material used for the study:

RADIOLABELLING INFORMATION (if applicable)
- Radiochemical purity: N/A
- Specific activity: N/A
- Locations of the label: N/A
- Expiration date of radiochemical substance: N/A

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature in the dark and under nitrogen.
- Stability under test conditions: Assumed stable.
- Solubility and stability of the test substance in the solvent/vehicle: N/A, applied as supplied.
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: N/A

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: N/A
- Preliminary purification step (if any): N/A
- Final dilution of a dissolved solid, stock liquid or gel: N/A
- Final preparation of a solid: N/A

FORM AS APPLIED IN THE TEST (if different from that of starting material): Applied as supplied.

TYPE OF BIOCIDE/PESTICIDE FORMULATION (if applicable): N/A

OTHER SPECIFICS: No

Reagents

Reagent:

water

Results and discussion

pH value

Key result

pH value:

6.3

Temp.:

20 °C

Concentration:

1 other: % w/v

Any other information on results incl. tables

Table 1       pH results

Replicate	Weight of test substance* (g)	pH
A	0.996	6.2
B	0.997	6.3

*test item dissolved in pure water

Applicant's summary and conclusion

Conclusions:

The pH of a 1 % w/v dispersion of Tetraesters of pentaerythritol with 2- methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid was found to be 6.3.

Executive summary:

CIPAC MT 75.3 (2012) -The pH of a 1 % w/v dispersion of Tetraesters of pentaerythritol with 2-methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid in purified water was determined using a calibrated pH meter.

 

The pH electrode was calibrated using the pH 4.0 and pH 10.0 buffer solutions. The calibration was then checked by measurement of the pH 7.0 buffer solution at 20 °C.

 

A dispersion of the test substance was prepared by adding Tetraesters of pentaerythritol with 2-methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid (1 g) to a measuring cylinder containing 50 mL of water. The volume of the sample was then made up to 100 mL with further water and shaken.

 

The sample was then transferred to a beaker and allowed to settle for 1 minute before measuring the initial pH. After standing for a further 1 minute, the pH value was measured again (if the change in pH was greater than 0.1 unit during this equilibration period, the pH of the sample was recorded after standing for 10 minutes).

 

The test was performed in duplicate at 20 °C.

 

The pH of a 1 % w/v dispersion of Tetraesters of pentaerythritol with 2- methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid was found to be 6.3.