α-ethyl-p-methoxybenzyl alcohol

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2013

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Study well performed according to international guidelines but not under GLP conditions

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2013

Report date:

2013

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

yes

Remarks:

Accuracy of the method was determined to be ± 1.0K while the OECD method indicates ±0.5K. This was considered as a minor deviation especially because a BP range was provided.

GLP compliance:

no

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

α-ethyl-p-methoxybenzyl alcohol

EC Number:

226-315-5

EC Name:

α-ethyl-p-methoxybenzyl alcohol

Cas Number:

5349-60-0

Molecular formula:

C10H14O2

IUPAC Name:

1-(4-methoxyphenyl)propan-1-ol

Test material form:

other: liquid

Details on test material:

- Name of the test item (as cited in the study report): α-ETHYL-p-METHOXYBENZYL ALCOHOL
- IUPAC Name of the test item: 1-(4-methoxyphenyl)propan-1-ol
- Physical state: liquid
- Substance type: monoconstituent
- Analytical purity: 97.2%
- Purity test date: 2013-01-04
- Lot/batch No.: D61
- Expiration date of the lot/batch: January 2015
- Storage condition of test material: +2°C to +8°C, under nitrogen and protected from light

Results and discussion

Boiling point

Boiling pt.:

>= 264.2 - <= 283.3 °C

Atm. press.:

101 325 Pa

Decomposition:

no

Remarks on result:

other: Maximum of boiling : 274.5±1.0°C

Any other information on results incl. tables

Measured values:

As required by the OECD method, two sets of measurements were carried out:

	Onset point (K)	Maximum boiling (K)	Endset (K)
N1	538.5	548.4	557.1
N2	536.5	547.2	556.0
Mean	537.5	547.8	556.5

 

 We observe an endothermic reaction which means the substance is being vaporized.

Corrected values:

Due to small deviations from the standard atmospheric pressure (less than ± 5kPa), measured values must be corrected.

 

The normal pressure is 101.325 kPa. The atmospheric pressure at the day of the measurement (N1) was 101.0 kPa and was 102.3 KPa at the day of the 2nd measurement (N2) which corresponds to a difference (Δp) of respectively of +0.3 KPa and -1.0 kPa

The rate of change (fT) of boiling temperature with pressure was 0.45 K/kPa (at 548K).

 

According to the Sidney Young equation. the correction factor was worked out to be:

0.45 x 0.3 = +0.14 K for the first measurement N1

0.45 x -1.0 = -0.45 K for second measurement N2

Corrected values in the table below according to the Sidney Young correction formula:

	Corrected Onset Point		Corrected Maximum boiling		Corrected Endset Point
	in K	in °C	in K	in °C	in K	in °C
N1	538.6	-	548.5	-	557.2	-
N2	536.0	-	546.7	-	555.5	-
Mean	537.3	264.2	547.6	274.5	556.4	283.3

Applicant's summary and conclusion

Conclusions:

The three data points describing this range after conversion to obtain normal boiling points by means of the Sydney Young equation are the following:
 
- Start of the boiling point range : 537.3±1.0K, or 264.2±1.0°C
- Maximum of boiling : 547.6±1.0K, or 274.5±1.0°C
- End of the boiling point : 556.4±1.0K, or 283.3±1.0°C

Executive summary:

The determination of the boiling point range was performed in accordance with OECD Guideline No 103 “Boiling Point” (July 1995). The Differential Scanning Calorimetry (DSC) method was used.

 

Since the test item is a multiconstituent and is not pure, a boiling point range is best to characterize it. The three data points describing this range after conversion to obtain normal boiling points by means of the Sydney Young equation are the following:

-           Start of the boiling point range : 537.3±1.0K, or 264.2±1.0°C

-           Maximum of boiling : 547.6±1.0K, or 274.5±1.0°C

-           End of the boiling point : 556.4±1.0K, or 283.3±1.0°C