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octanoic acid, isobutyl ester
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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): ISOBUTYL OCTANOATE NATURAL
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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): 5461-06-3 isoButyl Octanoate
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Fleurchem, Inc. Have A Flavorful Day A leading global manufacturer and supplier of ingredients for Flavors, Fragrances, AromaTherapy, Foods, Beverages, Personal Care Products, and other uses. Operating out of the 200,000 sq. ft., former Hercules/PFW facility in Middletown, NY; Fleurchem produces a full range of natural isolates, synthetic chemicals & specialities, essential oils and flavors. Additionally, the company performs toll manufacturing, as well as custom chemical synthesis for a wide range of clients. Email: Information US Voice: 845-341-2100 US Fax: 845-341-2121 Product(s): isobutyl caprylate 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): 09-39701 ISOBUTYL CAPRYLATE NATURAL 09-39700 ISOBUTYL CAPRYLATE
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W01775N ISOBUTYL CAPRYLATE (OCTANOATE), NATURAL
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): O0032 isoButyl Octanoate >99.0%(GC)
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| CAS Number: | 5461-06-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 226-744-8 | |
| FDA UNII: | 6GT8657GUF | |
| Nikkaji Web: | J147.578I | |
| MDL: | MFCD00059444 | |
| CoE Number: | 10714 | |
| XlogP3-AA: | 4.40 (est) | |
| Molecular Weight: | 200.32168000 | |
| Formula: | C12 H24 O2 | |
| 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 |
| DG SANTE Food Flavourings: | 09.593 isobutyl octanoate |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.85200 to 0.86400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.089 to 7.189 |
| Refractive Index: | 1.41600 to 1.42600 @ 20.00 °C. |
| Boiling Point: | 231.00 to 232.00 °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 | |
| water, 4.064 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl octanoate | |
| amyl octanoate | |
| isoamyl octanoate | |
| benzyl octanoate | |
| butyl octanoate | |
| citronellyl octanoate | |
| ortho-cresyl octanoate | |
| para-cresyl octanoate | |
| decyl octanoate | |
| ethyl 4-methyl octanoate | |
| ethyl octanoate | |
| furfuryl octanoate | |
| geranyl octanoate | |
| heptyl octanoate | |
| (E)-2-hexen-1-yl octanoate | |
| (Z)-3-hexen-1-yl octanoate | |
| hexyl octanoate | |
| linalyl octanoate | |
| 2-methyl butyl octanoate | |
| methyl octanoate | |
| nonyl octanoate | |
| octyl octanoate | |
| phenethyl octanoate | |
| propyl octanoate | |
| isopropyl octanoate | |
| sulfuryl octanoate | |
Organoleptic Properties:
| Odor Type: fruity | |
| fruity green oily floral | |
| Odor Description: at 100.00 %. | fruity green oily floral |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Alfrebro |
| ISOBUTYL OCTANOATE NATURAL
Odor: Fruity, Green, Oily, Floral |
| BOC Sciences |
| For experimental / research use only. |
| isoButyl Octanoate |
| Fleurchem |
| isobutyl caprylate natural |
| Inoue Perfumery |
| isoBUTYL OCTANOATE |
| Penta International |
| ISOBUTYL CAPRYLATE NATURAL |
| Penta International |
| ISOBUTYL CAPRYLATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| isoButyl Octanoate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| isoButyl Octanoate |
| Synerzine |
| ISOBUTYL CAPRYLATE (OCTANOATE), NATURAL |
| TCI AMERICA |
| For experimental / research use only. |
| isoButyl Octanoate >99.0%(GC) |
| Tengzhou Xiang Yuan Aroma Chemicals |
| isoButyl Octanoate |
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: | |
| 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 | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.70 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 85.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 75.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 100.00000 | |
| Processed fruit (04.1): | 7.00000 | 90.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 100.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 75.00000 | |
| Bakery wares (07.0): | 10.00000 | 100.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 50.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 50.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 100.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
Safety References:
| European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): | |
| Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 5461-06-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 79582 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 2-methylpropyl octanoate | |
| Chemidplus: | 0005461063 |
References:
| 2-methylpropyl octanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 5461-06-3 |
| Pubchem (cid): | 79582 |
| Pubchem (sid): | 135037896 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB59868 |
| Export Tariff Code: | 2915.90.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
| apple fruit Search PMC Picture | |
| apricot fruit Search Trop Picture | |
| brandy apple brandy Search PMC Picture | |
| brandy grape brandy Search PMC Picture | |
| champagne Search PMC Picture | |
| cheese gruyere cheese Search PMC Picture | |
| cider Search PMC Picture | |
| cognac Search PMC Picture | |
| gooseberry cape gooseberry fruit Search Trop Picture | |
| quince chinese quince fruit Search Trop Picture | |
| quince fruit Search Trop Picture | |
| rum Search PMC Picture | |
| sherry Search PMC Picture | |
| wine plum wine Search Picture | |
| wine red wine Search Picture | |
| wine white wine Search Picture |
Synonyms:
| iso | butyl caprylate |
| iso | butyl caprylate natural |
| iso | butyl N-octanoate |
| N- | caprylic acid isobutyl ester |
| caprylic acid, isobutyl ester | |
| 2- | methylpropyl octanoate |
| octanoic acid 2-methyl propyl ester | |
| octanoic acid isobutyl ester | |
| octanoic acid, 2-methylpropyl ester | |
| octanoic acid, isobutyl ester |