| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 106-36-5 |
| ECHA EC Number: | 203-389-7 |
| FDA UNII: | G09TRV00GK |
| CoE Number: | 403 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | propyl propionate |
| InChI : | InChI=1/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3 |
| Std.InChI: | InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3 |
| InChIKey : | MCSINKKTEDDPNK-UHFFFAOYAX |
| Std.InChIKey: | MCSINKKTEDDPNK-UHFFFAOYSA-N |
| SMILES : | CCCOC(=O)CC |
| MDL: | MFCD00009373 |
| Molar Refractivity : | 31.62 ± 0.3 cm3 (est) |
| Parachor : | 295.5 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.397 ± 0.02 (est) |
| Surface Tension : | 25.8 ± 3.0 dyne/cm (est) |
| Density : | 0.886 ± 0.06 g/cm3 (est) |
| Polarizability : | 12.53 ± 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: | 142 propyl propionate |
| DG SANTE Food Flavourings: | 09.122 propyl propionate |
| FEMA Number: | 2958 propyl propionate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 106-36-5 ; PROPYL PROPIONATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 20 - Harmful by inhalation. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 33 - Take precautionary measures against static discharge. S 37/39 - Wear suitable gloves and eye/face protection. | |
| 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. | |
| Human Experience: | |
| 20 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 10331 mg/kg GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYEBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 175, 1992. oral-rabbit LD50 3950 mg/kg Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 14128 mg/kg Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 177, 1992. | |
| Inhalation Toxicity: | |
| inhalation-mouse LC50 24000 mg/m3/2H "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 104, 1982. inhalation-mammal (species unspecified) LC50 16900 mg/m3 Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. | |
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for propyl propionate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 9.60 (μg/capita/day) | ||
| 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 25.00000 | |
| beverages(nonalcoholic): | - | 6.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 12.00000 | |
| fruit ices: | - | 12.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 25.00000 | |
| 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: | - | - | |
| 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 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):106-36-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7803 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:1 |
| propyl propanoate |
| Chemidplus:0000106365 |
| RTECS:UF7100000 for cas# 106-36-5 |
| propyl propanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 106-36-5 |
| Pubchem (cid): | 7803 |
| Pubchem (sid): | 134971760 |
| Flavornet: | 106-36-5 |
| Pherobase: | View |
| (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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB30059 |
| FooDB: | FDB001367 |
| Export Tariff Code: | 2915.50.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| FR | apple |
| FR | banana |
| FR | cranberry |
| FR | cucumber |
| FR | currant |
| FL | durian |
| FL | fruit punch |
| FL | fruit tropical fruit |
| FR | grape |
| FR | huckleberry |
| lifter | |
| FR | melon |
| FL | olive |
| FR | papaya |
| FL | pear emperor pear |
| FR | pineapple |
| FR | plum |
| FR | prune |
| FR | quince |
| FR | saffron |
| FL/FR | valerian |
| apple fruit Search PMC Picture | |
| apple juice Search PMC Picture | |
| apricot fruit Search Trop Picture | |
| banana fruit Search Trop Picture | |
| bilberry fruit Search Trop Picture | |
| cheese domiati cheese Search PMC Picture | |
| cheese gruyere cheese Search PMC Picture | |
| cider Search PMC Picture | |
| coffee Search PMC Picture | |
| cranberry fruit Search Trop Picture | |
| durian fruit Search Trop Picture | |
| elder black elder flower oil Search Trop Picture | |
| grape Search Trop Picture | |
| olive Search Trop Picture | |
| papaya fruit Search Trop Picture | |
| pear fruit Search Trop Picture | |
| rum Search PMC Picture | |
| whiskey malt whiskey Search Picture | |
| wine Search Picture |
| propanoic acid propyl ester | |
| propanoic acid, propyl ester | |
| propionic acid N-propyl ester | |
| propionic acid propyl ester | |
| propionic acid, propyl ester | |
| propyl propanoate | |
| N- | propyl propanoate |
| N- | propyl propionate |
| nat. | propyl propionate |
| propyl propionate (natural) | |
| propyl propionate natural | |
| N- | propyl propionate natural |
| propyl-propionate | |
| propylpropionate | |
| N- | propylpropionate |
| None found yet. Try the PubMed Search. |
