| Preferred name | 3-propylidene phthalide |
| Trivial Name | 3-propylidene-2-benzofuran-1-one |
| Short Description | celeriax (IFF) |
| Formula | C11 H10 O2 |
| CAS Number | 17369-59-4 |
| CAS Number | 56014-72-3 |
| CAS Number | 94704-89-9 |
| FEMA Number | 2952 |
| Flavis Number | 10.005 |
| ECHA Number | 241-402-8 |
| FDA UNII | WHD8YJ226P |
| Nikkaji Number | J36.997G |
| MDL | MFCD00051813 |
| COE Number | 494 |
| xLogP3-AA | 2.60 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1168 3-propylidenephthalide |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 17369-59-4 ; 3-PROPYLIDENEPHTHALIDE |
| Synonyms |
|
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
| 3-propylidene-2-benzofuran-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 17369-59-4 |
| Pubchem (cid): | 28500 |
| Pubchem (sid): | 34670942 |
| (3E)-3-propylidene-2-benzofuran-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 56014-72-3 |
| Pubchem (cid): | 6259976 |
| Pubchem (sid): | 48422504 |
| (3Z)-3-propylidene-2-benzofuran-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 94704-89-9 |
| Pubchem (cid): | 5373603 |
| Pubchem (sid): | 170956 |
| Publications by Info | |
| EVALUATION OF CERTAIN FOOD ADDITIVES AND CONTAMINANTS | |
| (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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31845 |
| FooDB: | FDB008528 |
| Export Tariff Code: | 2932.99.7000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
| Material listed in food chemical codex | No |
| Molecular weight | 174.19909667969 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.386 to 9.469 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 9.372 to 9.439 |
| Refractive Index | 1.579 to 1.589 @ 20 °C |
| Boiling Point | 169 to 170°C @ 12 mm Hg |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Vapor Density | 6 |
| Flash Point TCC Value | 112.78 °C TCC |
| logP (o/w) | 2.878 est |
| Solubility | |
| alcohol | Yes |
| water, very slightly | Yes |
| water, 1087 mg/L @ 25 °C (est) | Yes |
| Odor Type: Herbal | |
| celery, herbal, cortex, lovage, maple, fenugreek, phenolic, brothy, vegetable, brown, sweet | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | 284 hour(s) at 100.00 % |
| Luebke, William tgsc, (2021) | At 10.00 % in dipropylene glycol. celery herbal cortex lovage maple fenugreek phenolic brothy vegetable brown |
| Mosciano, Gerard P&F 21, No. 1, 33, (1996) | Celery, sweet, lovage and maple-Iike with herbal, brown, vegetative nuances |
| Flavor Type: Green | |
| green, celery, cortex, lovage, phenolic, herbal, privet, vegetable, sweet | |
| Luebke, William tgsc, (2021) | Green celery cortex lovage phenolic herbal privet vegetable |
| Mosciano, Gerard P&F 21, No. 1, 33, (1996) | At 25.00 ppm. Green, celery, sweet and lovage with vegetative and herbal nuances |
| (data available) |
| Applications | |
| Odor purposes | Celery, Fenugreek, Herbal, Lovage root, Maple |
| Flavoring purposes | Fenugreek, Lovage root, Sugar brown sugar |
| Cosmetic purposes | Perfuming agents |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. R 37/38 - Irritating to respiratory system and skin. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 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: | |
| 0.5 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 1650 mg/kg (Moreno, 1975r) oral-rat LD50 1650 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 865, 1978. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 2500 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 865, 1978. | |
| 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 | |||
| IFRA Critical Effect: | |||
| Dermal sensitization | |||
| View the IFRA Standard | |||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 0.071 % | |||
| Category 2: Products applied to the axillae | |||
| 0.021 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.42 % | |||
| Category 4: Products related to fine fragrance | |||
| 0.40 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 0.10 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.10 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.10 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.10 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.23 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.81 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.81 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.041 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.77 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 2.80 % | |||
| Category 10B: Household aerosol/spray products | |||
| 2.80 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 1.50 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 1.50 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| No Restriction | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 17.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 52.00 (μg/capita/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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 5.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.00000 | |
| fruit ices: | - | 5.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 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): |
| Flavouring Group Evaluation 27 (FGE.27): One aromatic lactone from chemical group 11[1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 80 (FGE.80) - Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008) View page or View pdf |
| Flavouring Group Evaluation 80, Revision 1 (FGE.80Rev1): Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008) View page or View pdf |
| Scientific Opinion on the safety and efficacy of alicyclic and aromatic lactones (chemical group 11) when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):17369-59-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :28500 |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WGK Germany:3 |
| 3-propylidene-2-benzofuran-1-one |
| Chemidplus:0017369594 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:NP7235000 for cas# 17369-59-4 |
| (3E)-3-propylidene-2-benzofuran-1-one |
| Chemidplus:0056014723 |
| (3Z)-3-propylidene-2-benzofuran-1-one |
| Chemidplus:0094704899 |