4-(2,5,6,6-tetramethylcyclohex-2-enyl)but-3-en-2-one

Flammability

Administrative data

Endpoint:

substances / mixtures which in contact with water emit flammable gases

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because the experience in production or handling shows that the substance does not react with water, e.g. the substance is manufactured with water or washed with water

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Qualifier:

no guideline followed

Principles of method if other than guideline:

Theoretical consideration, based on chemical structure of the components in the formulation.

GLP compliance:

no

Remarks:

(not relevant)

Test material

Test material information

Constituent 1

Reference substance name:

rel-(E)-4-((1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

Cas Number:

599-45-1

Molecular formula:

C14H22O

IUPAC Name:

rel-(E)-4-((1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

Constituent 2

Reference substance name:

rel-(E)-4-((1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

Cas Number:

472-46-8

Molecular formula:

C14H22O

IUPAC Name:

rel-(E)-4-((1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

impurity 1

Reference substance name:

3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-, (3E)-

Cas Number:

72074-84-1

Molecular formula:

C14H22O

IUPAC Name:

3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-, (3E)-

impurity 2

Reference substance name:

3-Buten-2-one, 4-(2,2,3,6-tetramethyl-3-cyclohexen-1-yl)-, [1α(E),6α]-

Cas Number:

140632-46-8

Molecular formula:

C14H22O

IUPAC Name:

3-Buten-2-one, 4-(2,2,3,6-tetramethyl-3-cyclohexen-1-yl)-, [1α(E),6α]-

impurity 3

Reference substance name:

4-Penten-2-one, 5-(1,3,4-trimethyl-3-cyclohexen-1-yl)-, (E)-

Cas Number:

162282-94-2

Molecular formula:

C14H22O

IUPAC Name:

4-Penten-2-one, 5-(1,3,4-trimethyl-3-cyclohexen-1-yl)-, (E)-

Specific details on test material used for the study:

Not relevant (theoretical consideration based on chemical structure)

Applicant's summary and conclusion

Interpretation of results:

not classified based on GHS criteria

Conclusions:

From the structural formulae of its constituents Irone Alpha is not expected to react significantly with water at 20 °C, and will in no way emit flammable gases. This is in line with the fact that during studies such as the determination of the water solubility of Irone Alpha (Water Solubility of Irone Alpha, Givaudan Suisse SA, Study No. 17-E059) no reaction of Irone Alpha with water was reported.

Therefore, it can be concluded beyond reasonable doubt that the contact of the substance with water or damp air will not lead to the development of dangerous amounts of gas or gases which may be highly flammable.