| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 4351-10-4 |
| ECHA EC Number: | 224-413-2 |
| FDA UNII: | XZS283GZWC |
| Category: | flavor and fragrance agents |
| IUPAC Name: | heptanal cyclic propylene acetal |
| InChI : | InChI=1/C10H20O2/c1-3-4-5-6-7-10-11-8-9(2)12-10/h9-10H,3-8H2,1-2H3 |
| Std.InChI: | InChI=1S/C10H20O2/c1-3-4-5-6-7-10-11-8-9(2)12-10/h9-10H,3-8H2,1-2H3 |
| InChIKey : | GFNFPBSXMBRHRU-UHFFFAOYAP |
| Std.InChIKey: | GFNFPBSXMBRHRU-UHFFFAOYSA-N |
| SMILES : | CCCCCCC1OCC(O1)C |
| MDL: | MFCD01730120 |
| Molar Refractivity : | 49.61 ± 0.3 cm3 (est) |
| Parachor : | 451.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.424 ± 0.02 (est) |
| Surface Tension : | 29.2 ± 3.0 dyne/cm (est) |
| Density : | 0.886 ± 0.06 g/cm3 (est) |
| Polarizability : | 19.66 ± 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: | 1739 heptanal propyleneglycol acetal |
| FEMA Number: | 4368 heptanal propyleneglycol acetal |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 4351-10-4 ; HEPTANAL PROPYLENEGLYCOL ACETAL |
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.88900 to 0.89500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.397 to 7.447 |
| Refractive Index: | 1.42500 to 1.43000 @ 20.00 °C. |
| Boiling Point: | 217.00 to 218.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.350000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 165.00 °F. TCC ( 73.89 °C. ) |
| logP (o/w): | 3.166 (est) |
| Soluble in: | |
| alcohol | |
| water, 169.9 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| 2-Hexyl-4-methyl-1,3-dioxolane |
| Inoue Perfumery |
| HEPTANAL PG ACETAL |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2-Hexyl-4-methyl-1,3-dioxolane |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| 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: | |
| intraperitoneal-mouse LDLo 500 mg/kg "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 8, Pg. 742, 1956. | |
| 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 heptanal cyclic propylene acetal usage levels up to: | |||
| 2.0000 % 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): | 4.00000 | 20.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | 6.00000 | 30.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 5.00000 | 25.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 6.00000 | 30.00000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 5.00000 | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):4351-10-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :20357 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2-hexyl-4-methyl-1,3-dioxolane |
| Chemidplus:0004351104 |
| 2-hexyl-4-methyl-1,3-dioxolane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 4351-10-4 |
| Pubchem (cid): | 20357 |
| Pubchem (sid): | 134985541 |
| (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): | HMDB32302 |
| FooDB: | FDB009546 |
| ChemSpider: | View |
| FR | green |
| not found in nature |
| aldehyde C-7 cyclic propylene acetal | |
| 1,3- | dioxolane, 2-hexyl-4-methyl- |
| heptanal PG acetal | |
| heptanal propylene glycol acetal | |
| heptanal propyleneglycol acetal | |
| heptanal, cyclic propylene acetal | |
| 2- | hexyl-4-methyl-1,3-dioxolan |
| 2- | hexyl-4-methyl-1,3-dioxolane |
| None found yet. Try the PubMed Search. |
