| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 65504-93-0 |
| FDA UNII: | 8GD8CC3AU4 |
| CoE Number: | 2277 |
| Category: | flavoring agents |
| IUPAC Name: | 1-phenyl-3(5)-propyl pyrazole |
| InChI : | InChI=1/C12H14N2/c1-2-6-11-9-10-14(13-11)12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3 |
| Std.InChI: | InChI=1S/C12H14N2/c1-2-6-11-9-10-14(13-11)12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3 |
| InChIKey : | ZHVUSSKUCZSPFQ-UHFFFAOYAN |
| Std.InChIKey: | ZHVUSSKUCZSPFQ-UHFFFAOYSA-N |
| SMILES : | CCCC1=NN(C=C1)C2=CC=CC=C2 |
| Molar Refractivity : | 59.57 ± 0.5 cm3 (est) |
| Parachor : | 454.4 ± 8.0 cm3 (est) |
| Index of Refraction : | 1.563 ± 0.05 (est) |
| Surface Tension : | 37.7 ± 7.0 dyne/cm (est) |
| Density : | 1.01 ± 0.1 g/cm3 (est) |
| Polarizability : | 23.61 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1568 1-phenyl-3 or 5-propyldiazole |
| DG SANTE Food Flavourings: | 14.029 1-phenyl-3 or 5-propyldiazole |
| FEMA Number: | 3727 1-phenyl-3 or 5-propyldiazole |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 65504-93-0 ; 1-PHENYL-3 OR 5-PROPYLPYRAZOLE |
| Appearance: | colorless to yellow clear liquid (est) |
| Assay: | 96.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.07800 to 1.08100 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.970 to 8.995 |
| Refractive Index: | 1.42800 to 1.43600 @ 20.00 °C. |
| Boiling Point: | 192.00 to 193.00 °C. @ 760.00 mm Hg |
| Soluble in: | |
| alcohol | |
| water, 70.38 mg/L @ 25 °C (est) | |
| None found |
| Aston Chemical |
| For experimental / research use only. |
| 1H-Pyrazole, 1-phenyl-3(or 5)-propyl- |
| BOC Sciences |
| For experimental / research use only. |
| 1-Phenyl-5-propylpyrazole |
| Parchem |
| 1-phenyl-3(5)-propyl pyrazole |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| 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 | |
| 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 ppm | average 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: | - | - | |
| 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 |
| 1-phenyl-3-propylpyrazole | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 65504-93-0 |
| Pubchem (cid): | 57320331 |
| Pubchem (sid): | 135318047 |
| (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 |
| For Odor |
| For Flavor |
| No flavor group found for these |
3,6- diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceriFL |
3-( ethyl thio) butanolFL |
(Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazolineFL |
(Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL |
3-iso propenyl pentane dioic acidFL |
5- acetyl-2,3-dihydro-1,4-thiazineFL |
S- allyl-laevo-cysteineFL |
(±)-3-( methyl thio) heptanalFL |
3-( methyl thio) methyl thiopheneFL |
2- methyl-1-methyl thio-2-buteneFL |
| pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine FL |
| meaty |
| meaty |
| propyl 2-mercaptopropionate FL |
| nutty |
2- butyl-2-butenalFL |
| roasted |
| lactoyl ethanolamine FL |
| lactoyl ethanolamine phosphate FL |
| sulfurous |
2,4,6- trithiaheptane 10% in triacetinFL |
| None Found |
| not found in nature |
| 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 |
