Articles:
| PubMed: | Analysis of Volatile Oils from Different Processed Products of Zingiber officinale Rhizome by GC-MS |
(+/-)-trans- and cis-5-(2,2-dimethylcyclopropyl)-3-methyl-2-pentenal
Notes:
Used as a food additive [EAFUS]
| CAS Number: | 877-60-1 |  3D/inchi
|
| % from: | 45.00% to 48.00% | |
| FDA UNII: | OO42EX51SR | |
| Nikkaji Web: | J2.717.055B | |
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 166.26366000 | |
| Formula: | C11 H18 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 877-60-1 (Z) |  3D/inchi
|
| % from: | 43.00% to 45.00% | |
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 166.26366000 | |
| Formula: | C11 H18 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| citral 0.10% to 9.90% | ||
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: | 1817 (+/-) (E,Z)-5-(2,2-dimethylcyclopropyl)-3-methyl-2-pentenal |
| FEMA Number: | 4105 (+/-)-trans- and cis-5-(2,2-dimethylcyclopropyl)-3-methyl-2-pentenal |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 877-60-1 ; (+/-)-TRANS- AND CIS-5-(2,2-DIMETHYLCYCLOPROPYL)-3-METHYL-2-PENTENAL |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 90.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.87400 to 0.87800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.273 to 7.306 |
| Refractive Index: | 1.49500 to 1.50100 @ 20.00 °C. |
| Boiling Point: | 234.00 to 237.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.060000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 158.00 °F. TCC ( 69.80 °C. ) (est) |
| logP (o/w): | 3.528 (est) |
| Soluble in: | |
| alcohol | |
| water, 36.54 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: at 100.00 %. | citrus lemon |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 2-Pentenal,5-(2,2-dimethylcyclopropyl)-3-methyl- |
| Parchem |
| acitral |
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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for acitral 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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 133.00000 | 178.00000 | |
| beverages(nonalcoholic): | 17.00000 | 28.00000 | |
| beverages(alcoholic): | 3.00000 | 6.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 147.00000 | 430.00000 | |
| condiments / relishes: | 10.00000 | 10.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 22.00000 | 34.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 1.00000 | 10.00000 | |
| granulated sugar: | - | - | |
| gravies: | 1.00000 | 1.00000 | |
| hard candy: | 8.00000 | 115.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 1.00000 | 2.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 142.00000 | 181.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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 : | 11962784 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (E)-5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enal | |
| Chemidplus: | 0000877601 |
| (Z)-5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enal |
References:
| (E)-5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enal | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11962784 |
| Pubchem (sid): | 36460015 |
| (Z)-5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enal | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11665469 |
| Pubchem (sid): | 23764912 |
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 |
| FooDB: | FDB009308 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| citrus | FR | |
| lemon | FR | |
| lemongrass | FR | |
| verbena | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (+/-) (E,Z)-5-(2,2- | dimethyl cyclopropyl)-3-methyl-2-pentenal |
| (±)-(E+Z)-5-(2,2- | dimethyl cyclopropyl)-3-methyl-2-pentenal |
| (+/-)-trans- and cis-5-(2,2- | dimethylcyclopropyl)-3-methyl-2-p |
| (+/-) (E,Z)-5-(2,2- | dimethylcyclopropyl)-3-methyl-2-pentenal |
| (+/-)-trans- and cis-5-(2,2- | dimethylcyclopropyl)-3-methyl-2-pentenal |
| (2E)-5-(2,2- | dimethylcyclopropyl)-3-methyl-2-pentenal |
| (E,Z)-5-(2,2- | dimethylcyclopropyl)-3-methyl-2-pentenal, (+/-) |
| (E)-5-(2,2- | dimethylcyclopropyl)-3-methylpent-2-enal |