Articles:
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2-octenoic acid, methyl ester
Notes:
Used as a food additive [EAFUS]
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Bedoukian Research, Inc. Perfecting the Art of Chemistry Working closely with our customers to meet their requirements. Dr. Paul Bedoukian founded the company in 1972 to fill a niche as a supplier of high quality specialty aroma molecules. Today, we offer more than 350 high impact aroma chemicals, while providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries. US Email: Customer Service US Email: Customer Service US Voice: 1-203-830-4000 US Fax: 1-203-830-4010 Instagram Linkedin Recent News Products List: View Product(s): 487A METHYL 2-OCTENOATE (HIGH TRANS) ≥97.0% (sum of isomers), Kosher SDS A good note for air fresheners.
Used in baked goods, gelatins, puddings and beverages.
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 2396-85-2 METHYL 2-OCTENOATE (HIGH TRANS) 97.0% (sum of isomers)
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 13-60500 METHYL trans-2-OCTENOATE
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| Flavor Demo Formulas | ||
| CAS Number: | 2396-85-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 219-259-8 | |
| FDA UNII: | Search | |
| CoE Number: | 11800 | |
| XlogP3-AA: | 3.00 (est) | |
| Molecular Weight: | 156.22492000 | |
| Formula: | C9 H16 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge 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: | 3712 methyl 2-octenoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 2396-85-2 ; METHYL 2-OCTENOATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.89400 to 0.90400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.439 to 7.522 |
| Refractive Index: | 1.43700 to 1.44700 @ 20.00 °C. |
| Boiling Point: | 70.00 °C. @ 4.00 mm Hg |
| Vapor Pressure: | 0.437000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 175.00 °F. TCC ( 79.44 °C. ) |
| logP (o/w): | 3.335 (est) |
| Shelf Life: | 48.00 month(s) or longer if stored properly. |
| Soluble in: | |
| alcohol | |
| water, 158.9 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| Odor Strength: | medium |
| Substantivity: | 8 hour(s) at 100.00 % |
| fruity pear skin green cooked | |
| Odor Description: at 100.00 %. | fruity pear skin green cooked |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| METHYL 2-OCTENOATE (HIGH TRANS) ≥97.0% (sum of isomers), Kosher | |
| Odor Description: | green, cooked fruit, pear-like A good note for air fresheners. |
| Taste Description: | green Used in baked goods, gelatins, puddings and beverages. |
Cosmetic Information:
| None found |
Suppliers:
| Bedoukian Research |
| METHYL 2-OCTENOATE (HIGH TRANS)
≥97.0% (sum of isomers), Kosher Odor: green, cooked fruit, pear-like Use: A good note for air fresheners. Flavor: green Used in baked goods, gelatins, puddings and beverages. |
| BOC Sciences |
| For experimental / research use only. |
| METHYL 2-OCTENOATE (HIGH TRANS) 97.0% (sum of isomers) |
| Parchem |
| methyl 2-octenoate (High Trans) |
| Penta International |
| METHYL trans-2-OCTENOATE |
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: | 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 methyl 2-octenoate usage levels up to: | |||
| 5.0000 % 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 7.50000 | |
| beverages(nonalcoholic): | - | 1.50000 | |
| beverages(alcoholic): | - | 2.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 3.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | 2.50000 | |
| gelatins / puddings: | - | 3.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 7.50000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | 2.50000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related substances used as flavor ingredients. View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 2396-85-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61313 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| methyl oct-2-enoate | |
| Chemidplus: | 0002396852 |
References:
| methyl oct-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 61313 |
| Pubchem (sid): | 135017588 |
| Pherobase: | View |
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): | HMDB32413 |
| FooDB: | FDB009852 |
| Export Tariff Code: | 2916.19.6000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
| annona glabra Search Trop Picture | |
| lily amazon water lily Search Trop Picture | |
| pear fruit Search Trop Picture | |
| soursop Search Trop Picture |
Synonyms:
| melon octenoate | |
| methyl 2-octenoate (high trans) | |
| methyl oct-2-enoate | |
| 2- | octenoic acid methyl ester |
| 2- | octenoic acid, methyl ester |