Reaction mass of 6-butyl-3,6-dihydro-2,4-dimethyl-2H-pyran and 2-butyl-3,6-dihydro-4,6-dimethyl-2H-pyran and 2-butyltetrahydro-6-methyl-4-methylene-2H-pyran

Appearance / physical state / colour

Administrative data

Endpoint:

appearance / physical state / colour

Type of information:

other: based on observation

Adequacy of study:

weight of evidence

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: based on observation

Justification for type of information:

No guideline is required according to REACh TGD. Considering that the substance is well characterised and that the data come from a GLP study, full reliability applies.

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

05 January 2015 - 03 March 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

There were no deviations from standard operating procedures (SOPs).

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

There were no deviations from standard operating procedures (SOPs).

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Specific details on test material used for the study:

Material Identification (as stated in the report) : Gyrane
Appearance: Colourless to pale yellow liquid
Batch: SC00008777

Please note that although the substance is described in the report with the IUPAC name: 6-Butyl-2,4-dimethyl-3,6-dihydro-2H-pyran related to the CAS number 24237-00-1, EC#246-098-0, recent analytical data had been determined the substance to be a multi-constituent described as Reaction mass of 6-butyl-3,6-dihydro-2,4-dimethyl-2H-pyran and 2-butyl-3,6-dihydro-4,6-dimethyl-2H-pyran and 2-butyltetrahydro-6-methyl-4-methylene-2H-pyran.

As the chemical manufacturing process has not changed since the report was written, the recent analytical information is relevant to the batch SC00008777 which was tested.

Key result

Melting / freezing pt.:

< -80 °C

Atm. press.:

1 026 hPa

Decomposition:

no

Sublimation:

no

To further investigate the melting temperature of the test substance, two samples of the test substance were stored for 16 hours at -21.9 ± 0.3°C and -82.0 ± 1.9°C respectively. It was observed after storage that the test substance was a liquid (-20°C freezer) and a very viscous liquid (-80°C freezer). According to this it was concluded that the melting temperature of the test substance is < - 80°C (< 193 K).

Conclusions:

The melting temperature of Gyrane was determined at < -80°C (< 193K) by applying a storage experiment in the freezer.

Executive summary:

The melting temperature of Gyrane was determined at < -80°C (< 193K) by applying a storage experiment in the freezer.

Materials and methods

Test guideline

Qualifier:

no guideline required

Version / remarks:

No guideline is required according to REACh TGD.

Test material

Test material information

Constituent 1

Reference substance name:

2-butyl-3,6-dihydro-4,6-dimethyl-2H-pyran

EC Number:

246-099-6

EC Name:

2-butyl-3,6-dihydro-4,6-dimethyl-2H-pyran

Cas Number:

24237-01-2

Molecular formula:

C11H20O

IUPAC Name:

2-butyl-4,6-dimethyl-3,6-dihydro-2H-pyran

Constituent 2

Reference substance name:

6-butyl-3,6-dihydro-2,4-dimethyl-2H-pyran

EC Number:

246-098-0

EC Name:

6-butyl-3,6-dihydro-2,4-dimethyl-2H-pyran

Cas Number:

24237-00-1

Molecular formula:

C11H20O

IUPAC Name:

6-butyl-2,4-dimethyl-3,6-dihydro-2H-pyran

Constituent 3

Reference substance name:

2-butyltetrahydro-6-methyl-4-methylene-2H-pyran

EC Number:

246-101-5

EC Name:

2-butyltetrahydro-6-methyl-4-methylene-2H-pyran

Cas Number:

24237-02-3

Molecular formula:

C11H20O

IUPAC Name:

2-butyl-6-methyl-4-methylenetetrahydro-2H-pyran

Results and discussion

Physical state at 20°C and 1013 hPa:

liquid

Form / colour / odour

Form:

liquid

Colour:

colorless to Pale yellow

Odour:

other: Green, like fruit, Floral, Fresh

Substance type:

organic