Reaction Mass of Cyclohexanepropanol, 2,2,6-trimethyl-a-propyl-, (alpha.R,1R,6S)- and Cyclohexanepropanol, 2,2,6-trimethyl-a-propyl-, (alpha.S,1R,6S)-

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

experimental phase 24-25. Feb. 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognised method, and under GLP. No significant deviation was reported. The test substance is considered to be adequately characterised. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected on November 13 and 14, 2014 / signed on April 08, 2015

Type of method:

effusion method: by loss of weight or by trapping vaporisate

Temp.:

20 °C

Vapour pressure:

0.128 Pa

Remarks on result:

other: extrapolated from the measuring range 25-65°C

Temp.:

25 °C

Vapour pressure:

0.194 Pa

Remarks on result:

other: interpolated from the regression

The measured values for temperature and vapour pressure were evaluated as follows:

Parameter	T	P	1/T	log P
Unit	K	Pa	1/K	log Pa
Values	298.2	0.205	3.3535E-03	-0.6892
	318.2	0.818	3.1427E-03	-0.0872
	338.2	3.75	2.9568E-03	0.5741

A graph with log P (in Pa) vs. 1/T (in K) was plotted. Since the values were correlated by a linear relation, the data could be fitted by linear regression:

log P = -3177.7 / T + 9.9454

Correlation Coefficient r = -0.9980

Coefficient of Determination r²= 0.9960

Upon inspection of the cells at the end of the experiment, it was observed that the test item had not changed in appearance.

Vapour pressure results, in Pa

Temperature	25°C	45°C	65°C
mean	0.205	0.818	3.75
SD (+/-)	0.0258	0.0821	0.118
RSD	12.6%	10.0%	3.2%

(detailed measurements are available in the study report)

Conclusions:

Low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), << 500 Pa).

Executive summary:

The vapour pressure of the test item was determined under GLP following OECD 104/EU A.4 guideline, effusion method (weight loss).

Determinations were conducted at 25, 45 and 65 °C. All temperatures could be evaluated as they showed reproducible weight loss. For these temperatures, 1/T was plotted against log (P). The graph shows a straight line with a correlation coefficient (r) of - 0.9980.

For the test item, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:

Vapour pressure at 20 °C: 0.128 Pa (extrapolated)

Vapour pressure at 25 °C: 0.194 Pa (interpolated)

Reference 2

Endpoint:

vapour pressure

Type of information:

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

Adequacy of study:

key study

Justification for type of information:

Based on structural similarity of constituents (diastereoisomers) and comparing normal boiling points, points, respectively 291°C for the test substance (Firmenich 2008), and 327°C for the present dossier (Laüs 2014b; please refer to IU section 4.3), the target substance is expected to have a slightly lower vapour pressure. Therefore the result of the study will be considered as a limit value for the target substance.
Further information is included in IUCLID Section 13.

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across: supporting information

Reason / purpose for cross-reference:

read-across: supporting information

Key result

Temp.:

25 °C

Vapour pressure:

<= 0.194 Pa

Conclusions:

(from analogue) Low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), << 500 Pa).

Executive summary:

The vapour pressure of the analogue test substance was measured under GLP according to OECD 104 / EU A4 guideline, effusion method (weight loss).

Determinations were conducted at 25, 45 and 65 °C. Vapour pressure at 25°C was interpolated from the regression.

The vapour pressure of the test material has been determined to be 0.194 Pa at 25°C.

A similar, or slightly lower, VP is anticipated for the target substance.

Description of key information

Low volatility (from analogue).

VP = 0.194 Pa at 25°C for the tested analogue; expected similar, or slightly lower for the target reaction mass.

Key value for chemical safety assessment

Vapour pressure:

0.194 Pa

at the temperature of:

25 °C

Additional information

No data is available on the substance itself.

However, a fully reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available on an analogue (stereoisomers). Based on structural similarity and comparing boiling points, minor difference is anticipated with the present dossier substance, the read-across is considered justified for a key study, and the result is retained as key data for purpose of CSA.