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isobutyl heptoate
Notes:
Used in imitation brandy flavouring
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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): 7779-80-8 isoButyl Heptanoate
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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): 09-41800 ISOBUTYL HEPTANOATE
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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): ISO BUTYL HEPTANOATE
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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): W0938 isoButyl Heptanoate
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| CAS Number: | 7779-80-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 231-940-1 | |
| FDA UNII: | LJS6KH0B8M | |
| Nikkaji Web: | J36.958F | |
| Beilstein Number: | 1760201 | |
| CoE Number: | 364 | |
| XlogP3-AA: | 3.90 (est) | |
| Molecular Weight: | 186.29474000 | |
| Formula: | C11 H22 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: | 172 isobutyl heptanoate |
| DG SANTE Food Flavourings: | 09.092 isobutyl heptanoate |
| FEMA Number: | 2200 isobutyl heptanoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 7779-80-8 ; ISOBUTYL HEPTANOATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.85930 @ 25.00 °C. |
| Boiling Point: | 95.00 to 97.00 °C. @ 12.00 mm Hg |
| Boiling Point: | 208.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.219000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 181.00 °F. TCC ( 82.78 °C. ) |
| logP (o/w): | 4.196 (est) |
| Soluble in: | |
| alcohol | |
| water, 12.56 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl heptanoate | |
| amyl heptanoate | |
| isoamyl heptanoate | |
| benzyl heptanoate | |
| butyl heptanoate | |
| decyl heptanoate | |
| ethyl 2-acetyl heptanoate | |
| ethyl heptanoate | |
| eugenyl heptanoate | |
| furfuryl heptanoate | |
| geranyl heptanoate | |
| heptyl heptanoate | |
| (Z)-3-hexen-1-yl heptanoate | |
| hexyl heptanoate | |
| methyl heptanoate | |
| nonyl heptanoate | |
| octyl heptanoate | |
| phenethyl heptanoate | |
| prenyl heptanoate | |
| propyl heptanoate | |
Organoleptic Properties:
| Odor Type: green | |
| green herbal fruity | |
| Odor Description: at 100.00 %. | green herbal 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. |
| isoButyl Heptanoate |
| Grau Aromatics |
| iso-BUTYL-HEPTANOATE
NI, Kosher |
| Parchem |
| isoButyl Heptanoate |
| Penta International |
| ISOBUTYL HEPTANOATE |
| SRS Aromatics |
| ISO BUTYL HEPTANOATE |
| Synerzine |
| isoButyl Heptanoate |
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. | |
| Human Experience: | |
| 2 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 > 5000 mg/kg (Moreno, 1976c) oral-rat LD50 > 2000 mg/kg (Potokar,1988) | |
| 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 isobutyl heptanoate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.01 (μg/capita/day) | ||
| 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 7.00000 | 25.00000 | |
| beverages(nonalcoholic): | 0.50000 | 1.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 2.40000 | 10.00000 | |
| fruit ices: | 2.40000 | 10.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 7.00000 | 25.00000 | |
| 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:
| 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): | 7779-80-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 24516 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 2-methylpropyl heptanoate | |
| Chemidplus: | 0007779808 |
References:
| 2-methylpropyl heptanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7779-80-8 |
| Pubchem (cid): | 24516 |
| Pubchem (sid): | 134990621 |
| 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): | HMDB34458 |
| FooDB: | FDB012867 |
| Export Tariff Code: | 2915.90.8000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| blackberry | FR | |
| coconut | FR | |
| ginger | FR | |
| green grass | FR | |
| herbal | FR | |
| hop | FR | |
| malt | FR | |
| marigold | FL/FR | |
| mulberry | FR | |
| natural | ||
| nut | FL | |
| plum | FR | |
| plum greengage plum | FL |
Occurrence (nature, food, other): note
| brandy Search PMC Picture | |
| cognac Search PMC Picture | |
| quince fruit Search Trop Picture |
Synonyms:
| iso | butyl heptoate |
| iso | butyl heptylate |
| iso- | butyl-heptanoate |
| heptanoic acid 2-methyl propyl ester | |
| heptanoic acid isobutyl ester | |
| heptanoic acid, 2-methylpropyl ester | |
| heptanoic acid, isobutyl ester | |
| 2- | methyl propyl heptanoate |
| 2- | methyl-1-propyl heptanoate |
| 2- | methylpropyl heptanoate |