Acetic acid, esters with turpentine-oil myrcene fraction terpene alcs.

Explosiveness

Administrative data

Endpoint:

explosive properties of explosives

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:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Qualifier:

no guideline required

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:

p-menth-1-en-8-yl acetate

EC Number:

201-265-7

EC Name:

p-menth-1-en-8-yl acetate

Cas Number:

80-26-2

Molecular formula:

C12H20O2

IUPAC Name:

1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate

Constituent 2

Reference substance name:

Myrcenyl acetate

EC Number:

214-262-0

EC Name:

Myrcenyl acetate

Cas Number:

1118-39-4

Molecular formula:

C12H20O2

IUPAC Name:

1,1-dimethyl-5-methylenehept-6-en-1-yl acetate

Constituent 3

Reference substance name:

(E)-2-(3,3-dimethylcyclohexylidene)ethyl acetate

EC Number:

308-183-1

EC Name:

(E)-2-(3,3-dimethylcyclohexylidene)ethyl acetate

Cas Number:

97890-04-5

Molecular formula:

C12H20O2

IUPAC Name:

(E)-2-(3,3-dimethylcyclohexylidene)ethyl acetate

Constituent 4

Reference substance name:

(Z)-2-(3,3-dimethylcyclohexylidene)ethyl acetate

EC Number:

308-184-7

EC Name:

(Z)-2-(3,3-dimethylcyclohexylidene)ethyl acetate

Cas Number:

97890-05-6

Molecular formula:

C12H20O2

IUPAC Name:

(Z)-2-(3,3-dimethylcyclohexylidene)ethyl acetate

Constituent 5

Reference substance name:

Geranyl acetate

EC Number:

203-341-5

EC Name:

Geranyl acetate

Cas Number:

105-87-3

Molecular formula:

C12H20O2

IUPAC Name:

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

Constituent 6

Reference substance name:

1-methyl-4-(1-methylethylidene)cyclohexyl acetate

EC Number:

233-564-3

EC Name:

1-methyl-4-(1-methylethylidene)cyclohexyl acetate

Cas Number:

10235-63-9

Molecular formula:

C12H20O2

IUPAC Name:

4-isopropylidene-1-methylcyclohexyl acetate

Constituent 7

Reference substance name:

4-(5-methyl-1-methylene-4-hexenyl)-1-(4-methylpent-3-enyl)cyclohexene

EC Number:

208-546-3

EC Name:

4-(5-methyl-1-methylene-4-hexenyl)-1-(4-methylpent-3-enyl)cyclohexene

Cas Number:

532-87-6

Molecular formula:

C20H32

IUPAC Name:

4-(5-methyl-1-methylenehex-4-en-1-yl)-1-(4-methylpent-3-en-1-yl)cyclohexene

Constituent 8

Reference substance name:

cis-1-methyl-4-(1-methylvinyl)cyclohexyl acetate

EC Number:

244-028-3

EC Name:

cis-1-methyl-4-(1-methylvinyl)cyclohexyl acetate

Cas Number:

20777-47-3

Molecular formula:

C12H20O2

IUPAC Name:

4-isopropenyl-1-methylcyclohexyl acetate

Constituent 9

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:

C10H16O

IUPAC Name:

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

Constituent 10

Reference substance name:

Neryl acetate

EC Number:

205-459-2

EC Name:

Neryl acetate

Cas Number:

141-12-8

Molecular formula:

C12H20O2

IUPAC Name:

(Z)-3,7-dimethylocta-2,6-dien-1-yl acetate

Constituent 11

Reference substance name:

1-(3,3-dimethylcyclohex-1-en-1-yl)ethyl acetate

Cas Number:

150461-96-4

Molecular formula:

C12H20O2

IUPAC Name:

1-(3,3-dimethylcyclohex-1-en-1-yl)ethyl acetate

Constituent 12

Reference substance name:

Tentative monoterpene diacetate

IUPAC Name:

Tentative monoterpene diacetate

Constituent 13

Reference substance name:

Tentative oxygenated monoterpene acetate

IUPAC Name:

Tentative oxygenated monoterpene acetate

Constituent 14

Reference substance name:

Tentative Diterpene hydrocarbon

IUPAC Name:

Tentative Diterpene hydrocarbon

Constituent 15

Reference substance name:

Unresolved/non-elucidated mixed terpene/diterpene/oxygenated terpene/terpene acetate derivatives

IUPAC Name:

Unresolved/non-elucidated mixed terpene/diterpene/oxygenated terpene/terpene acetate derivatives

Test material form:

liquid

Specific details on test material used for the study:

Commercial Name: Neobergamate Forte
Givaudan Code No.: 0014073

Applicant's summary and conclusion

Interpretation of results:

GHS criteria not met

Conclusions:

From the structural formulae of the main constituents of Neobergamate Forte (>10%), it can be concluded that the substance is not explosive. The substance does not have the functional groups associated with explosive properties of chemical instability. For minor constituents present in Neobergamate Forte GC-MS analysis equally confirms the absence of functional groups associated with the explosive properties or chemical instability, even though the full structures are not elucidated in all cases.
Therefore it can be concluded beyond reasonable doubt that Neobergamate Forte is incapable of causing explosions by action of external heating sources. As such further testing is not needed.