| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 624-09-9 |
| ECHA EC Number: | 210-828-6 |
| FDA UNII: | BG2A3OKN56 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | heptyl heptanoate |
| InChI : | InChI=1/C14H28O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h3-13H2,1-2H3 |
| Std.InChI: | InChI=1S/C14H28O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h3-13H2,1-2H3 |
| InChIKey : | QOIIBPAJVWFEPE-UHFFFAOYAN |
| Std.InChIKey: | QOIIBPAJVWFEPE-UHFFFAOYSA-N |
| SMILES : | CCCCCCCOC(=O)CCCCCC |
| Molar Refractivity : | 68.68 ± 0.3 cm3 (est) |
| Parachor : | 613.8 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.435 ± 0.02 (est) |
| Surface Tension : | 29.6 ± 3.0 dyne/cm (est) |
| Density : | 0.867 ± 0.06 g/cm3 (est) |
| Polarizability : | 27.22 ± 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: | 1875 heptyl heptanoate |
| FEMA Number: | 4341 heptyl heptanoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 624-09-9 ; HEPTYL HEPTANOATE |
| Appearance: | colorless clear oily liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.85900 to 0.86500 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.156 to 7.206 |
| Refractive Index: | 1.42800 to 1.43200 @ 20.00 °C. |
| Melting Point: | -33.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 276.00 to 277.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.005000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 248.00 °F. TCC ( 120.00 °C. ) |
| logP (o/w): | 5.880 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.3631 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items:note | |
| allyl heptanoate | |
| amyl heptanoate | |
| isoamyl heptanoate | |
| benzyl heptanoate | |
| butyl heptanoate | |
| isobutyl heptanoate | |
| decyl heptanoate | |
| ethyl 2-acetyl heptanoate | |
| ethyl heptanoate | |
| eugenyl heptanoate | |
| furfuryl heptanoate | |
| geranyl heptanoate | |
| (Z)-3-hexen-1-yl heptanoate | |
| hexyl heptanoate | |
| methyl heptanoate | |
| nonyl heptanoate | |
| octyl heptanoate | |
| phenethyl heptanoate | |
| prenyl heptanoate | |
| propyl heptanoate | |
| None found |
| Alfrebro |
| HEPTYL HEPTANOATE NATURAL Odor: Grassy Green |
| Axsyn |
| For experimental / research use only. |
| Heptanoic acid, heptylester |
| BOC Sciences |
| For experimental / research use only. |
| Heptyl Heptanoate |
| Penta International |
| HEPTYL HEPTANOATE NATURAL |
| Penta International |
| HEPTYL HEPTANOATE |
| Sigma-Aldrich |
| Heptyl heptanoate, natural (US), 98% |
| Certified Food Grade Products |
| Preferred SDS: View | |
| 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: | |||
| 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 heptyl heptanoate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| 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: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 3.00000 | 15.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 25.00000 | 100.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | 10.00000 | 20.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 5.00000 | 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: | 5.00000 | 20.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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 :69350 |
| National Institute of Allergy and Infectious Diseases:Data |
| heptyl heptanoate |
| Chemidplus:0000624099 |
| heptyl heptanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 69350 |
| Pubchem (sid): | 135027764 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB34461 |
| FooDB: | FDB012870 |
| Export Tariff Code: | 2915.90.0000 |
| ChemSpider: | View |
| FR | almond |
| FR | green grass |
| mallow |
| not found in nature |
| heptanoic acid heptyl ester | |
| heptanoic acid, heptyl ester | |
| heptanoicacid,heptylester | |
| heptyl capronate | |
| heptyl heptoate | |
| heptylheptanoate |
| None found yet. Try the PubMed Search. |
