Articles:
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3-methylbut-2-enyl 2-methylpropanoate
Notes:
Used as a food additive [EAFUS]
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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): 76649-23-5 PRENYL ISOBUTYRATE 99.0%
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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): 16-65550 PRENYL ISOBUTYRATE
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SRS Aromatics Ltd For over 25 years Bringing flavour and fragrance into your world. As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply. Email: Info Email: Sales Voice: +44 (0) 1284 704076 Fax: +44 (0) 1284 760819 Twitter Linkedin News Product(s): VERTENOL ISO BUTYRATE
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Taytonn ASCC Pte Ltd Supplying Asia Pacific We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service. Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers. Email: Info Email: Sales Voice: + 65 - 6861 8113 Fax: + 65 - 6861 8115 Linkedin Product(s): Prenyl Isobutyrate
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| CAS Number: | 76649-23-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 278-516-2 | |
| FDA UNII: | 6W5A030WDT | |
| Nikkaji Web: | J319.350K | |
| XlogP3-AA: | 2.70 (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 |
| JECFA Food Flavoring: | 1828 prenyl isobutyrate |
| DG SANTE Food Flavourings: | 09.695 prenyl isobutyrate |
| FEMA Number: | 4206 prenyl isobutyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 76649-23-5 ; PRENYL ISOBUTYRATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.88700 to 0.89600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.381 to 7.456 |
| Refractive Index: | 1.42700 to 1.43400 @ 20.00 °C. |
| Boiling Point: | 77.00 to 78.00 °C. @ 15.00 mm Hg |
| Boiling Point: | 189.00 to 190.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.579000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 145.00 °F. TCC ( 62.78 °C. ) |
| logP (o/w): | 2.880 (est) |
| Soluble in: | |
| alcohol | |
| water, 164.4 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| fruity blueberry raspberry pomegranate pineapple chrysanthemum honey fruit dried fruit | |
| Odor Description: at 100.00 %. | fruity blueberry raspberry pomegranate pineapple chrysanthemum honey dried fruit |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| PRENYL ISOBUTYRATE ≥99.0%, Kosher | |
| Odor Description: | Blueberry, raspberry and pomegranate with a touch of pineapple and chrysanthemum undertones w/ a hint of honey. A sweet dried fruit blend on dry down A lofty odor for topnote complexes. |
| Taste Description: | fruity Noteworthy in exotic tropical and mango compositions, adding lift. |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| PRENYL ISOBUTYRATE 99.0% |
| Grau Aromatics |
| VERTENOL-iso-BUTYRATE (PRENYL-iso-BUTYRATE)
NI, Kosher |
| Penta International |
| PRENYL ISOBUTYRATE |
| SRS Aromatics |
| VERTENOL ISO BUTYRATE |
| Taytonn ASCC |
| Prenyl Isobutyrate |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. | |
| 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 prenyl isobutyrate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 2300 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| 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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 10.00000 | 100.00000 | |
| beverages(nonalcoholic): | 0.30000 | 3.00000 | |
| beverages(alcoholic): | 1.50000 | 15.00000 | |
| breakfast cereal: | 0.30000 | 1.50000 | |
| cheese: | - | - | |
| chewing gum: | 15.00000 | 100.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 1.50000 | 10.00000 | |
| egg products: | 1.50000 | 10.00000 | |
| fats / oils: | 1.50000 | 10.00000 | |
| fish products: | - | - | |
| frozen dairy: | 6.00000 | 60.00000 | |
| fruit ices: | 3.00000 | 30.00000 | |
| gelatins / puddings: | 3.00000 | 30.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 5.00000 | 50.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.60000 | 6.00000 | |
| jams / jellies: | 3.00000 | 30.00000 | |
| meat products: | - | - | |
| milk products: | 0.60000 | 60.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 1.50000 | 15.00000 | |
| snack foods: | - | - | |
| soft candy: | 3.00000 | 30.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| 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): | - | - | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| 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 202: 3-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.3 of FGE.19[1] View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05Rev1 (2008) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 76649-23-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 173535 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 3-methylbut-2-enyl 2-methylpropanoate | |
| Chemidplus: | 0076649235 |
References:
| 3-methylbut-2-enyl 2-methylpropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 173535 |
| Pubchem (sid): | 135192670 |
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): | HMDB32491 |
| FooDB: | FDB010137 |
| Export Tariff Code: | 2915.60.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| balsamic | ||
| cinnamyl benzoate | FL/FR | |
| buttery | ||
| acetyl isobutyryl | FL/FR | |
| caramellic | ||
| alpha,alpha- | dimethyl anisyl acetone | FL/FR |
| floral | ||
| linalyl butyrate | FL/FR | |
| fruity | ||
| ethyl lactate | FL/FR | |
| green | ||
| 1- | ethoxyethyl acetate | FL/FR |
| herbal | ||
| 3- | allyl-1-methyl-2-oxabicyclo(2.2.2)octane | |
| For Flavor | ||
| No flavor group found for these | ||
| cinnamyl benzoate | FL/FR | |
| alpha,alpha- | dimethyl anisyl acetone | FL/FR |
| caramellic | ||
| 3- | methyl butyl 2-furyl butyrate | FL |
| creamy | ||
| acetyl isobutyryl | FL/FR | |
| estery | ||
| 1- | ethoxyethyl acetate | FL/FR |
| floral | ||
| linalyl butyrate | FL/FR | |
| fruity | ||
| ethyl lactate | FL/FR | |
| herbal | ||
| 3- | allyl-1-methyl-2-oxabicyclo(2.2.2)octane | |
Potential Uses:
| butter | FR | |
| fruit | FR |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 3- | methyl but-2-enyl isobutyrate |
| 2- | methyl propanoic acid 3-methyl-2-butenyl ester |
| 3- | methyl-2-butenyl isobutyrate |
| 3- | methylbut-2-enyl 2-methylpropanoate |
| 3- | methylbut-2-enyl isobutyrate |
| propanoic acid, 2-methyl-, 3-methyl-2-butenyl ester | |
| vertenol isobutyrate (Grau) | |
| vertenol-iso-butyrate (Grau) |