Reaction mass of (E)-3,7-dimethylocta-2,6-dien-1-yl formate and 3,7-dimethyloct-6-en-1-yl formate

Explosiveness

Administrative data

Endpoint:

explosiveness, other

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties

Data source

Reference

Reference Type:

other: Expert Statement

Title:

Unnamed

Year:

2016

Report date:

2016

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:

Geranyl formate

EC Number:

203-339-4

EC Name:

Geranyl formate

Cas Number:

105-86-2

Molecular formula:

C11H18O2

IUPAC Name:

(E)-3,7-dimethylocta-2,6-dien-1-yl formate

Constituent 2

Reference substance name:

Citronellyl formate

EC Number:

203-338-9

EC Name:

Citronellyl formate

Cas Number:

105-85-1

Molecular formula:

C11H20O2

IUPAC Name:

3,7-dimethyloct-6-en-1-yl formate

impurity 1

Reference substance name:

Geraniol

EC Number:

203-377-1

EC Name:

Geraniol

Cas Number:

106-24-1

Molecular formula:

C10H18O

IUPAC Name:

(E)-3,7-dimethylocta-2,6-dien-1-ol

impurity 2

Reference substance name:

Rhodinyl formate

EC Number:

205-456-6

EC Name:

Rhodinyl formate

Cas Number:

141-09-3

Molecular formula:

C11H20O2

IUPAC Name:

3,7-dimethyloct-7-en-1-yl formate

Test material form:

liquid

Specific details on test material used for the study:

Commercial Name: Geranyl Formate
Givaudan Code No.: 5134001
Chemical Nature: 2-trans-3,7-Dimethyl-2,6-octadienylformate and 3,7-Dimethyl-6-octenyl formate
Empirical Formula: C11H18O2 and C11H20O2
Molecular Weight: 182.3 g/mol and 184.3 g/mol
CAS No.: 105-86-2 and 105-85-1

Results and discussion

Any other information on results incl. tables

From the structural formula of the constituents of Geranyl Formate, it can be concluded that the substance is not explosive. The substance does not have the functional groups associated with explosive properties or chemical instability.

Applicant's summary and conclusion

Interpretation of results:

GHS criteria not met

Conclusions:

Geranyl Formate is incapable of causing explosions by action of external heating sources.

Executive summary:

A theoretical assessment based on chemical structure of the components in the formulation was carried out to assess the explosion risk of the test substance.From the structural formula of the constituents if Geranyl Formate, it can be concluded that the substance is not explosive. The substance does not have the functional groups associated with explosive properties or chemical instability. Geranyl Formate is incapable of causing explosions by action of external heating sources. As such further testing is not needed.