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Diss Factsheets

Administrative data

Endpoint:
auto-ignition temperature (liquids)
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
DIN 51794 (Testing of mineral oil hydrocarbons - Determination of ignition temperature)
Qualifier:
according to guideline
Guideline:
EU Method A.15 (Auto-Ignition Temperature (Liquids and Gases))
GLP compliance:
no

Test material

Constituent 1
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical Nature: Acetic acid esters of the Turpentine-oil Myrcene fraction Terpene alcohols
Emperical Formula: C12H20O2
Molecular weight: 196.29 g/mol
CAS No.: 69103-01-1
Aspect: Pale yellow liquid
Lot No.: SC000137798
Expiration date: May 26, 2016

Results and discussion

Auto-ignition temperature (liquids / gases)
Auto-ignition temperature:
260 °C
Atm. press.:
101 325 Pa

Applicant's summary and conclusion

Conclusions:
The Auto-Ignition Temperature of Neobergamate Forte was determined in a SUR BERLIN oven, equipped with a 250 ml glass ignition vessel according to the DIN 51974.
The lowest temperature giving a positive effect was 264 °C. The injected volume was 100 µl, the ignition delay was 20 s. At a temperature of 259 °C no ignition was observed.
Therefore, after rounding-off to the next lower multiple of 5 °C:
Auto-Ignition temperature of Neobergamate Forte: 260 +/- 10 °C