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heptanal glyceryl acetal
General Material Information
| Preferred name | heptanal glyceryl acetal |
| Trivial Name | 2-Hexyl-1,3-dioxolane-4-methanol |
| Short Description | heptanal glyceryl acetal (mixed 1,2 and 1,3 acetals) |
| Formula | C10 H20 O3 |
| CAS Number | 1708-35-6 |
| FEMA Number | 2542 |
| ECHA Number | 216-960-0 |
| FDA UNII | 63ZBP77DDC |
| Nikkaji Number | J42.147B |
| Beilstein Number | 0108185 |
| COE Number | 2016 |
| xLogP3-AA | 2.10 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 912 heptanal glyceryl acetal (mixed 1,2 and 1,3 acetals) |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 977043-66-5 ; HEPTANAL GLYCERYL ACETAL (MIXED 1,2 AND 1,3 ACETALS) |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| 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 |
Other Information
| (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 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB009545 |
| ChemSpider: | View |
Suppliers
| BOC Sciences | Ernesto Ventós |
| Penta International | Penta International Corporation |
| Ernesto Ventós S.A. |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 188.26699829102 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.238 to 8.346 |
| Refractive Index | 1.445 to 1.455 @ 20 °C |
| Boiling Point | 271 to 272°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 132.22 °C TCC |
| logP (o/w) | 2.207 est |
| Solubility | |
| alcohol | Yes |
| water, very slightly | Yes |
| water, 1540 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Earthy | |
| earthy, fungal, mossy, green, sweet | |
| General comment | At 100.00 %. earthy fungal mossy green sweet |
Potential Uses
| Applications | |
| Odor purposes | Earth , Fungus , Gardenia |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| 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 LD50 439 mg/kg intraperitoneal-mouse LD50 439 mg/kg PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Archives Internationales de Pharmacodynamie et de Therapie. Vol. 85, Pg. 474, 1951. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| 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 glyceryl 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 10.00000 | |
| beverages(nonalcoholic): | - | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 100.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 10.00000 | |
| fruit ices: | - | 10.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 10.00000 | |
| 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: | - | - | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1708-35-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :15571 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (2-hexyl-1,3-dioxolan-4-yl)methanol |
| Chemidplus:0001708356 |