| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 104-64-3 |
| ECHA EC Number: | 203-222-8 |
| FDA UNII: | 6R8500G08Y |
| CoE Number: | 351 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | 3-phenyl propyl formate |
| InChI : | InChI=1/C10H12O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2 |
| Std.InChI: | InChI=1S/C10H12O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2 |
| InChIKey : | AMHRXSOVSAQOKL-UHFFFAOYAS |
| Std.InChIKey: | AMHRXSOVSAQOKL-UHFFFAOYSA-N |
| SMILES : | C1=CC=C(C=C1)CCCOC=O |
| Molar Refractivity : | 46.99 ± 0.3 cm3 (est) |
| Parachor : | 391.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.503 ± 0.02 (est) |
| Surface Tension : | 36.9 ± 3.0 dyne/cm (est) |
| Density : | 1.033 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.63 ± 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: | 637 3-phenylpropyl formate |
| DG SANTE Food Flavourings: | 09.084 3-phenylpropyl formate |
| FEMA Number: | 2895 3-phenylpropyl formate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 104-64-3 ; 3-PHENYLPROPYL FORMATE |
| 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 |
| Alfrebro |
| 3-PHENYL PROPYL FORMATE NATURAL Odor: Sweet, Floral, Honey, Cinnamon |
| BOC Sciences |
| For experimental / research use only. |
| 3-Phenylpropyl Formate |
| Parchem |
| 3-phenyl propyl formate |
| Penta International |
| 3-PHENYLPROPYL FORMATE |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 36 - Wear suitable protective clothing. | |
| 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: | |
| 8 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 4090 mg/kg Value in ul/kg bw, confidence limits of 3490-4780 ul/kg bw, 3 dose groups of 10 animals, only summary available. (Levenstein, 1975e) oral-rat LD50 4090 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 835, 1976. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 3-phenyl propyl formate usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.80 (μg/capita/day) | ||
| Structure Class: | I | ||
| 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: | - | 2.70000 | |
| beverages(nonalcoholic): | - | 1.30000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.90000 | 1.50000 | |
| fruit ices: | 0.90000 | 1.50000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 3.00000 | 5.00000 | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 15 (FGE.15): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 15, Revision 1 (FGE.15Rev1) - Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008) 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 Substance Registry Services (TSCA):104-64-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61010 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3-phenylpropyl formate |
| Chemidplus:0000104643 |
| 3-phenylpropyl formate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 104-64-3 |
| Pubchem (cid): | 61010 |
| Pubchem (sid): | 135018156 |
| (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): | HMDB34471 |
| FooDB: | FDB012881 |
| Export Tariff Code: | 2915.13.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| benzene propanol formate | |
| benzenepropanol formate | |
| benzenepropanol, formate | |
| hydrocinnamyl formate | |
| hydrocinnamyl methanoate | |
| phenyl propyl formate | |
| 3- | phenyl propyl formate |
| beta- | phenyl propyl formate |
| 3- | phenyl propyl methanoate |
| 3- | phenyl-1-propyl formate |
| 1- | phenyl-3-formyloxypropane |
| 3- | phenylpropyl formate |
| 3- | phenylpropyl methanoate |
| 1- | propanol, 3-phenyl-, formate |
| None found yet. Try the PubMed Search. |
