Octanal, 7-hydroxy-3,7-dimethyl-, reaction products with 1H-indole

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2016

Report date:

2016

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Test guideline 3

Qualifier:

according to guideline

Guideline:

other: Source of correction constants: E.D. Cater, CH.2A Physicochemical Measurements in Metal Research, Part 1, R.A. Rapp, ED., John Wiley , New York, 1970

Test guideline 4

Qualifier:

according to guideline

Guideline:

other: Corresponding SOP of LAUS GmbH: SOP 118 009 52, “Bestimmung des Dampfdrucks, Massenverlust-Methode, mit der Apparatur Effusion 2“, edition 6 valid from 15. Jul. 2013

GLP compliance:

yes (incl. QA statement)

Type of method:

effusion method: Knudsen cell

Test material

Test material information

Constituent 1

Reference substance name:

η-1H-indol-3-yl-α,α,ε-trimethyl-1H-indole-3-heptanol

EC Number:

267-434-2

EC Name:

η-1H-indol-3-yl-α,α,ε-trimethyl-1H-indole-3-heptanol

Cas Number:

67860-00-8

Molecular formula:

C26H32N2O

IUPAC Name:

8,8-di(1H-indol-3-yl)-2,6-dimethyloctan-2-ol

Constituent 2

Reference substance name:

Indole

EC Number:

204-420-7

EC Name:

Indole

Cas Number:

120-72-9

Molecular formula:

C8H7N

IUPAC Name:

1H-indole

Constituent 3

Reference substance name:

7-hydroxycitronellal

EC Number:

203-518-7

EC Name:

7-hydroxycitronellal

Cas Number:

107-75-5

Molecular formula:

C10H20O2

IUPAC Name:

7-hydroxy-3,7-dimethyloctanal

Constituent 4

Reference substance name:

1-(1H-indol-1-yl)-3,7-dimethyloctane-1,7-diol

Cas Number:

1642782-49-7

Molecular formula:

C18H27NO2

IUPAC Name:

1-(1H-indol-1-yl)-3,7-dimethyloctane-1,7-diol

Constituent 5

Reference substance name:

Unknown constituents

IUPAC Name:

Unknown constituents

Specific details on test material used for the study:

Name INDOLENE
Batch no. VE00434647
Appearance Yellow to green liquid
Composition Reaction products of Octanal, 7-hydroxy-3,7-dimethyl with 1H-indole
Production date: 05. Apr. 2016
Storage Room: Temperature: (20 ± 5°C); Keep away from light and humidity; Full, hermetically closed

Results and discussion

Vapour pressure

Vapour pressure 1

Key result

Temp.:

20 °C

Vapour pressure:

0.252 Pa

Vapour pressure 2

Temp.:

25 °C

Vapour pressure:

0.334 Pa

Applicant's summary and conclusion

Conclusions:

The vapour pressure of INDOLENE was determined following EU A.4 using the effusion method (weight loss). For the test item INDOLENE, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:
Vapour pressure at 20 °C: 0.252 Pa
Vapour pressure at 25 °C: 0.334 Pa

Executive summary:

The vapour pressure of the test item INDOLENE was determined at four different temperatures (30, 40, 50 and 60 °C) following EU A.4 using the effusion method (weight loss). At all measurements of 30 °C, the first measurement of 40°C and the third measurement of 50°C, the test item bubbled over or the cells where contaminated. To avoid bias these measurements were not used for calculation.

Three experiments could be evaluated as they showed relevant and reproducible weight loss. All evaluated experiments showed good reproducibility, giving relative standard deviations of less than 21 % and good correlation.

Therefore, the result of the test can be considered valid.