Articles:
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2-ethyl-2-hexenal
Notes:
None found
| CAS Number: | 645-62-5 |  3D/inchi
|
| Other(deleted CASRN): | 128744-21-8 | |
| ECHA EINECS - REACH Pre-Reg: | 211-448-3 | |
| MDL: | MFCD00006983 | |
| XlogP3-AA: | 2.30 (est) | |
| Molecular Weight: | 126.19878000 | |
| Formula: | C8 H14 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance 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 |
| FEMA Number: | 4612 2-ethyl-2-hexenal |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 645-62-5 ; 2-ETHYL-2-HEXENAL |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 176.00 to 179.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.173000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 123.00 °F. TCC ( 50.56 °C. ) |
| logP (o/w): | 2.718 (est) |
| Soluble in: | |
| alcohol | |
| water, 548.6 mg/L @ 25 °C (est) | |
| water, 586 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Alfrebro |
| 2-ETHYL-2-HEXENAL NATURAL |
| BOC Sciences |
| For experimental / research use only. |
| 2-Ethyl-2-hexenal |
| Frinton Laboratories |
| For experimental / research use only. |
| 2-Ethyl-2-hexenal |
| Parchem |
| 2-ethyl hexenal |
| Penta International |
| 2-ETHYL-2-HEXENAL NATURAL |
| Penta International |
| 2-ETHYL-2-HEXENAL |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2-Ethyl-2-hexenal (cis- and trans- mixture) |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2-Ethyl-2-hexenal |
| TCI AMERICA |
| For experimental / research use only. |
| 2-Ethyl-2-hexenal >90.0%(GC)(T) |
Safety Information:
| 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: | |
|
oral-rat LD50 3000 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944. | |
| Dermal Toxicity: | |
|
skin-guinea pig LD50 > 20 mL/kg "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 699, 1969. | |
| 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 | |||
| 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: | 0.00300 | 0.00500 | |
| beverages(nonalcoholic): | 0.00100 | 0.00500 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 0.03000 | 0.08000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.00200 | 0.01000 | |
| 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 |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 645-62-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 12582 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 1 |
| 2-ethylhex-2-enal | |
| Chemidplus: | 0000645625 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | MP6300000 for cas# 645-62-5 |
References:
| 2-ethylhex-2-enal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 645-62-5 |
| Pubchem (cid): | 12582 |
| Pubchem (sid): | 134976788 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2912.19.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| cnidium officinale makino Search Trop Picture |
Synonyms:
| 2- | ethyl hex-2-enal |
| 2- | ethyl-2-hexen-1-al |
| 2- | ethyl-2-hexenal |
| 2- | ethyl-3-propyl acrolein |
| 2- | ethyl-3-propylacrylaldehyde |
| alpha- | ethyl-beta-propylacrolein |
| 2- | ethylhex-2-en-1-al |
| 2- | ethylhex-2-enal |
| 2- | ethylhexenal |
| hex-2-en-1-al, 2-ethyl- | |
| 2- | hexenal, 2-ethyl- |