Articles:
| None found yet. Try the PubMed Search. |
octan-3-yl butanoate
Notes:
Used as a food additive [EAFUS]
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Alfrebro LLC/ Archer Daniels Midland Company Let's get reacquainted Building great taste with aroma chemicals, extracts, and distillates The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals. Email: Sarah Forbis Email: Sales Voice: 513-539-3021 Fax: 513-539-7372 US Voice: 513-539-7373 Newsroom Product(s): 3-OCTYL BUTYRATE NATURAL
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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): 15-29450 3-OCTYL BUTYRATE
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| CAS Number: | 20286-45-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 243-687-4 | |
| FDA UNII: | 484AMY2W8G | |
| Nikkaji Web: | J280.512J | |
| XlogP3-AA: | 4.20 (est) | |
| Molecular Weight: | 200.32168000 | |
| Formula: | C12 H24 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
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: | 2073 3-octyl butyrate |
| FEMA Number: | 4402 3-octyl butyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 20286-45-7 ; 3-OCTYL BUTYRATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.85800 to 0.86300 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.148 to 7.189 |
| Refractive Index: | 1.42000 to 1.42500 @ 20.00 °C. |
| Boiling Point: | 243.00 to 245.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.061000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 201.00 °F. TCC ( 93.89 °C. ) |
| logP (o/w): | 4.705 (est) |
| Soluble in: | |
| alcohol | |
| fats | |
| oils | |
| water, 4.064 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: fruity | |
| fruity green herbal citrus musty | |
| Odor Description: at 100.00 %. | fruity green herbal citrus musty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Alfrebro |
| 3-OCTYL BUTYRATE NATURAL |
| Axsyn |
| For experimental / research use only. |
| Butanoic acid,1-ethylhexyl ester |
| Parchem |
| 3-octyl butyrate |
| Penta International |
| 3-OCTYL BUTYRATE |
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 3-octyl butyrate usage levels up to: | |||
| not for fragrance use. | |||
| Structure Class: | I | ||
| 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: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 1.00000 | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 10.00000 | 100.00000 | |
| 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): | 20286-45-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 89307 |
| National Institute of Allergy and Infectious Diseases: | Data |
| octan-3-yl butanoate | |
| Chemidplus: | 0020286457 |
References:
| octan-3-yl butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 20286-45-7 |
| Pubchem (cid): | 89307 |
| Pubchem (sid): | 135045613 |
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): | HMDB32310 |
| FooDB: | FDB009965 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 3-Octyl butyrate |
Potential Blenders and core components note
Potential Uses:
| citrus | FL | |
| fruit | FR |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| butanoic acid 1-ethyl hexyl ester | |
| butanoic acid 1-ethylhexyl ester | |
| butanoic acid, 1-ethylhexyl ester | |
| butanoic acid,1-ethylhexyl ester | |
| 1- | ethyl hexyl butyrate |
| 1-( | ethyl hexyl) butanoate |
| 1- | ethylhexyl butyrate |
| 1-( | ethylhexyl)butanoate |
| octan-3-yl butanoate | |
| octan-3-yl butyrate | |
| 3- | octyl butanoate |