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1-phenyl-3(5)-propyl pyrazole

Chemical Structure

General Material Information

Preferred name 1-phenyl-3(5)-propyl pyrazole
Trivial Name 1H-Pyrazole, 1-phenyl-3(or 5)-propyl-
Short Description 1-phenyl-3 or 5-propyldiazole
Formula C12 H14 N2
CAS Number 65504-93-0
FEMA Number 3727
Flavis Number 14.029
FDA UNII 8GD8CC3AU4
COE Number 2277
xLogP3-AA 3.10 (est)
NMR Predictor External link
JECFA Food Flavoring 1568 1-phenyl-3 or 5-propyldiazole
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 65504-93-0 ; 1-PHENYL-3 OR 5-PROPYLPYRAZOLE
Synonyms
  • 1-phenyl-3 or 5-propyl-1,2-diazole
  • 1-phenyl-3 or 5-propyldiazole
  • 1-phenyl-3(5)-propylpyrazole
  • 1-phenyl-3(or 5)-propyl-1H-pyrazole
  • 1-phenyl-3-propylpyrazole
  • 1-phenyl-3-propylpyrazole
  • 1H-Pyrazole, 1-phenyl-3(or 5)-propyl-

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Literature & References

1-phenyl-3-propylpyrazole
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:65504-93-0
Pubchem (cid):57320331
Pubchem (sid):135318047
Publications by Info
miscellaneous nitrogen derivatives

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
FooDB:FDB010074
Export Tariff Code:2933.19.9050

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 186.25758361816
Specific gravity @ 25 °C
Pounds per Gallon 8.97 to 8.995
Refractive Index 1.428 to 1.436 @ 20 °C
Boiling Point 192 to 193°C @ 760 mm Hg
Solubility
alcohol Yes
water, 70.38 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Roasted
roasted, cooked
General comment At 0.10 % in propylene glycol. roasted cooked

Safety Information

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for 1-phenyl-3(5)-propyl pyrazole usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.17 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (μg/capita/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: --
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -1.00000
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 85: Consideration of miscellaneous nitrogen-containing substances evaluated by JECFA (65th meeting)[1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :57320331
National Institute of Allergy and Infectious Diseases:Data
1-phenyl-3-propylpyrazole
Chemidplus:0065504930