Articles:
acetic acid, 3-methylbut-3-enyl ester
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): 5205-07-2 isoPrenyl Acetate
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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): 13-31000 3-METHYL-3-BUTENYL ACETATE
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WholeChem, LLC Connecting Innovators To the Building Blocks Of the Universe Custom manufacturer and distributor of specialty ingredients. We make global local. SQF-Certified Supplier We owe our success to our integrity, our dedication to the industry, and our commitment to our clients. We invite your inquiries regarding our current product list and any other products you may be having trouble sourcing. Email: Info Email: Orders Voice: +1 (262) 995.8668 Certification Our Services Products List: View Product(s): Isoprenyl Acetate
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| CAS Number: | 5205-07-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 225-996-6 | |
| FDA UNII: | 962IG82H5B | |
| Nikkaji Web: | J297.937C | |
| MDL: | MFCD00154473 | |
| CoE Number: | 9655 | |
| XlogP3-AA: | 1.80 (est) | |
| Molecular Weight: | 128.17104000 | |
| Formula: | C7 H12 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 |
| JECFA Food Flavoring: | 1269 isoprenyl acetate |
| FEMA Number: | 3991 isoprenyl acetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 5205-07-2 ; 3-METHYL-3-BUTENYL ACETATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.90400 to 0.91400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.522 to 7.605 |
| Refractive Index: | 1.41800 to 1.42600 @ 20.00 °C. |
| Boiling Point: | 151.00 to 152.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 4.459000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 134.00 °F. TCC ( 56.67 °C. ) |
| logP (o/w): | 1.800 (est) |
| Soluble in: | |
| alcohol | |
| water, 1104 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: at 100.00 %. | fruity |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| isoPrenyl Acetate |
| Parchem |
| isoprenyl acetate |
| Penta International |
| 3-METHYL-3-BUTENYL ACETATE |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3-Methyl-3-buten-1-yl acetate |
| WholeChem |
| Isoprenyl Acetate |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 10 - Flammable. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 isoprenyl acetate usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 7.30 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 11.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (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: 20 | |||
| Click here to view publication 20 | |||
| 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 | 10.00000 | |
| 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): | 5.00000 | 25.00000 | |
| 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): | |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf | |
| Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf | |
| Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st 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.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 5205-07-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 78879 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 3-methylbut-3-enyl acetate | |
| Chemidplus: | 0005205072 |
References:
| 3-methylbut-3-enyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 5205-07-2 |
| Pubchem (cid): | 78879 |
| Pubchem (sid): | 135033839 |
| 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): | HMDB32391 |
| FooDB: | FDB009819 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| fruit | FR |
Occurrence (nature, food, other): note
| nectarine Search PMC Picture | |
| penpino fruit Search PMC Picture | |
| pineapple fruit Search Trop Picture | |
| ylang ylang oil I (cananga odorata hook. f. and thomas.) @ 0.42% Data GC Search Trop Picture | |
| ylang ylang oil II (cananga odorata hook. f. and thomas.) @ 0.04% Data GC Search Trop Picture | |
| ylang ylang oil III @ 0.01% Data GC Search Trop Picture |
Synonyms:
| acetic acid 3-methyl but-3-enyl ester | |
| acetic acid, 3-methylbut-3-enyl ester | |
| 3- | buten-1-ol, 3-methyl-, acetate |
| 3- | methyl but-3-enyl acetate |
| 3- | methyl-3-buten-1-ol acetate |
| 3- | methyl-3-buten-1-ol, acetate |
| 3- | methyl-3-buten-1-yl acetate |
| 3- | methyl-3-butenyl acetate |
| 3- | methylbut-3-en-1-yl acetate |
| 3- | methylbut-3-ene-1-ol acetate |
| 3- | methylbut-3-enyl acetate |
| 3-iso | pentenyl acetate |
| iso | prenyl acetate |
| iso | prenylacetate |