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(2S,3R)-3-heptyloxirane-2-carbaldehyde
Notes:
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| CAS Number: | 102369-06-2 |  3D/inchi
|
| FDA UNII: | 5DKD54LEI5 | |
| Nikkaji Web: | J1.658.989F | |
| XlogP3-AA: | 2.90 (est) | |
| Molecular Weight: | 170.25186000 | |
| Formula: | C10 H18 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| CAS Number: | 1048958-35-5 |  3D/inchi
|
| FDA UNII: | Search | |
| EFSA/JECFA Comments: | SC: 2-3% trans-2-decenal | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| 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: | 2149 2,3-epoxydecanal |
| FEMA Number: | 4659 2,3-epoxydecanal |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1048958-35-5 ; 2,3-EPOXYDECANAL |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 94.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.91200 to 0.92200 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.598 to 7.681 |
| Refractive Index: | 1.43600 to 1.44600 @ 20.00 °C. |
| Boiling Point: | 92.00 to 93.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.035000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 226.00 °F. TCC ( 107.78 °C. ) |
| logP (o/w): | 2.548 (est) |
| Soluble in: | |
| alcohol | |
| water, 103.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: at 10.00 % in dipropylene glycol. | citrus fatty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 36/37/39 - Wear suitable clothing, 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. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for 2,3-epoxydecanal usage levels up to: | |||
| not for fragrance use. | |||
| 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: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.10000 | 1.00000 | |
| beverages(nonalcoholic): | 0.00100 | 0.10000 | |
| beverages(alcoholic): | 0.00100 | 0.10000 | |
| breakfast cereal: | - | - | |
| cheese: | 0.10000 | 1.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.10000 | 1.00000 | |
| confectionery froastings: | - | - | |
| egg products: | 0.10000 | 1.00000 | |
| fats / oils: | - | - | |
| fish products: | 0.10000 | 1.00000 | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.10000 | 1.00000 | |
| jams / jellies: | - | - | |
| meat products: | 0.10000 | 1.00000 | |
| milk products: | 0.10000 | 1.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | 0.10000 | 1.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.10000 | 1.00000 | |
Safety References:
| 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 : | 6429290 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| (2S,3R)-3-heptyloxirane-2-carbaldehyde | |
| Chemidplus: | 0102369062 |
References:
| (2S,3R)-3-heptyloxirane-2-carbaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6429290 |
| Pubchem (sid): | 43023274 |
| Pubchem (cas): | 1048958-35-5 |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| citrus | FL | |
| fruit tropical fruit | FL |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (+-)-2,3- | epoxydecanal |
| 2,3- | epoxydecanal, (+-)- |
| 3- | heptyl oxirane carboxaldehyde |
| (2S,3R)-3- | heptyloxirane-2-carbaldehyde |