Oils, neroli

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 2018-03-06 to 2018-04-04

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

1995

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

2008

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

(R)-p-mentha-1,8-diene

EC Number:

227-813-5

EC Name:

(R)-p-mentha-1,8-diene

Cas Number:

5989-27-5

Molecular formula:

C10H16

IUPAC Name:

4-isopropenyl-1-methylcyclohexene

Constituent 2

Reference substance name:

Linalool

EC Number:

201-134-4

EC Name:

Linalool

Cas Number:

78-70-6

Molecular formula:

C10H18O

IUPAC Name:

3,7-dimethylocta-1,6-dien-3-ol

Constituent 3

Reference substance name:

Pin-2(10)-ene

EC Number:

204-872-5

EC Name:

Pin-2(10)-ene

Cas Number:

127-91-3

Molecular formula:

C10H16

IUPAC Name:

6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane

Constituent 4

Reference substance name:

Linalyl acetate

EC Number:

204-116-4

EC Name:

Linalyl acetate

Cas Number:

115-95-7

Molecular formula:

C12H20O2

IUPAC Name:

1,5-dimethyl-1-vinylhex-4-en-1-yl acetate

Constituent 5

Reference substance name:

3,7-dimethylocta-1,3,6-triene

EC Number:

237-641-2

EC Name:

3,7-dimethylocta-1,3,6-triene

Cas Number:

13877-91-3

Molecular formula:

C10H16

IUPAC Name:

3,7-dimethylocta-1,3,6-triene

Constituent 6

Reference substance name:

p-menth-1-en-8-ol

EC Number:

202-680-6

EC Name:

p-menth-1-en-8-ol

Cas Number:

98-55-5

Molecular formula:

C10H18O

IUPAC Name:

p-menth-1-en-8-ol

Constituent 7

Reference substance name:

7-methyl-3-methyleneocta-1,6-diene

EC Number:

204-622-5

EC Name:

7-methyl-3-methyleneocta-1,6-diene

Cas Number:

123-35-3

Molecular formula:

C10H16

IUPAC Name:

7-methyl-3-methyleneocta-1,6-diene

Constituent 8

Reference substance name:

Geranyl acetate

EC Number:

203-341-5

EC Name:

Geranyl acetate

Cas Number:

105-87-3

Molecular formula:

C12H20O2

IUPAC Name:

3,7-dimethylocta-2,6-dien-1-yl acetate

Constituent 9

Reference substance name:

Geraniol

EC Number:

203-377-1

EC Name:

Geraniol

Cas Number:

106-24-1

Molecular formula:

C10H18O

IUPAC Name:

3,7-dimethylocta-2,6-dien-1-ol

Constituent 10

Reference substance name:

3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed isomers

EC Number:

230-597-5

EC Name:

3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed isomers

Cas Number:

7212-44-4

Molecular formula:

C15H26O

IUPAC Name:

3,7,11-trimethyldodeca-1,6,10-trien-3-ol

Constituent 11

Reference substance name:

Nerol

EC Number:

203-378-7

EC Name:

Nerol

Cas Number:

106-25-2

Molecular formula:

C10H18O

IUPAC Name:

3,7-dimethylocta-2,6-dien-1-ol

Constituent 12

Reference substance name:

Farnesol

EC Number:

225-004-1

EC Name:

Farnesol

Cas Number:

4602-84-0

Molecular formula:

C15H26O

IUPAC Name:

3,7,11-trimethyldodeca-2,6,10-trien-1-ol

Constituent 13

Reference substance name:

Neryl acetate

EC Number:

205-459-2

EC Name:

Neryl acetate

Cas Number:

141-12-8

Molecular formula:

C12H20O2

IUPAC Name:

3,7-dimethylocta-2,6-dien-1-yl acetate

Constituent 14

Reference substance name:

Pin-2(3)-ene

EC Number:

201-291-9

EC Name:

Pin-2(3)-ene

Cas Number:

80-56-8

Molecular formula:

C10H16

IUPAC Name:

2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

Constituent 15

Reference substance name:

Thuj-4(10)-ene

EC Number:

222-212-4

EC Name:

Thuj-4(10)-ene

Cas Number:

3387-41-5

Molecular formula:

C10H16

IUPAC Name:

1-isopropyl-4-methylenebicyclo[3.1.0]hexane

Constituent 16

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 17

Reference substance name:

Methyl anthranilate

EC Number:

205-132-4

EC Name:

Methyl anthranilate

Cas Number:

134-20-3

Molecular formula:

C8H9NO2

IUPAC Name:

methyl 2-aminobenzoate

Test material form:

liquid

Specific details on test material used for the study:

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: in darkness at room temperature
- Stability under test conditions: stable

Results and discussion

Boiling point

Key result

Boiling pt.:

>= 149.95 - <= 150.05 °C

Atm. press.:

ca. 1 013.25 hPa

Any other information on results incl. tables

Three assays were performed during the test and two assays complied with the accuracy criterion. Only these 2 assays are taken into account.

First assay: the boiling point corrected to the atmospheric pressure was 149.8°C

Second assay: not compliant with the accuracy criterion

Third assay: the boiling point corrected to the atmospheric pressure was 150.1°C

The mean corrected boiling point of the test is 150°C +/- 0.5

Applicant's summary and conclusion

Conclusions:

The boiling point of Neroli oil is 150°C +/- 0.5 °C.

Executive summary:

The boiling point of Neroli oil was determined by DSC method in compliance with Regulation (EC) No. 1907/2006, Council Regulation (EC) No. 440/2008 EC A.2. method (2008) and OECD Guideline No. 103 (1995).

The objective of the test is to determine the boiling point that corresponds to the temperature at which the vapour pressure of the liquid is equal to 101.325 kPa, the normal atmospheric pressure. The test item is heated under nitrogen at atmospheric pressure using the Differential Scanning Calorimetry method (DSC).

The test item sample and reference material are both kept at the temperature predetermined by the program even during a thermal event in the sample. The amount of energy which has to be supplied to the sample to maintain a zero temperature differential between the test item sample and the reference material is the experimental parameter displayed as the ordinate of the thermal analysis curve. The rate of energy absorption by the sample is proportional to the specific heat of the sample.

Any transition accompanied by a change in specific heat produces a discontinuity in the power signal boiling of the test item is characterised by an endothermic enthalpy change that gives a peak whose area is proportional to the total enthalpy change whereas decomposition is characterised by an exothermic peak. The boiling temperature depends on the atmospheric pressure, so boiling temperature is corrected if necessary.

The mean corrected boiling point of the test item is 150°C +/- 0.5°C according to the test guidelines OECD 103 and EU Method A.2.