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heptanoic acid, propyl ester
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): 7778-87-2 Propyl Heptanoate 95%
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Jiangyin Healthway International Trade Co., Ltd Independent Ingredients Supplier We provide custom synthesis and contract manufacturing from milligrams to metric tonnes. Jiangyin Healthway International Trade Co., Ltd is a professional company, main engaged in manufacturing and exporting aroma chemicals ,food additives , cosmetic ingredient ,pharmaceutical intermediates & other fine chemicals; especially on aroma chemicals , as the major manufacturer of heterocyclic and sulphur aroma compounds , we are the leading independent ingredients supplier to the flavour and fragrance industries in China, can offer hundreds of different high quality aroma chemicals. Email: Info Email: Sales Voice: 86-510-86023169 Fax: 86-510-86023170 Mobile 0086-13093133011 Services Biochemical Natural Food Colour New functional food ingredients Product(s): HL0539 Propyl Heptanoate
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Lluch Essence S.L. A family company dedicated to sales and distribution Flexibility, availability, price and quality. Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world. Email: Info Voice: 34 93 379 38 49 Fax: 34 93 370 65 04 Linkedin Product(s): PROPYL 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): 16-78000 PROPYL 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): PROPYL HEPTANOATE
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| CAS Number: | 7778-87-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 231-917-6 | |
| FDA UNII: | 43257OA2O9 | |
| Nikkaji Web: | J115.079K | |
| MDL: | MFCD00048897 | |
| CoE Number: | 367 | |
| XlogP3-AA: | 3.50 (est) | |
| Molecular Weight: | 172.26780000 | |
| Formula: | C10 H20 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: | 168 propyl heptanoate |
| DG SANTE Food Flavourings: | 09.095 propyl heptanoate |
| FEMA Number: | 2948 propyl heptanoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 7778-87-2 ; PROPYL 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: | 0.86900 @ 25.00 °C. |
| Melting Point: | -64.00 to -63.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 207.00 to 208.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.233000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 170.00 °F. TCC ( 76.67 °C. ) |
| logP (o/w): | 3.842 (est) |
| Soluble in: | |
| alcohol | |
| water, 33.39 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl heptanoate | |
| amyl heptanoate | |
| isoamyl heptanoate | |
| benzyl heptanoate | |
| butyl heptanoate | |
| isobutyl 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 | |
Organoleptic Properties:
| Odor Type: fruity | |
| sweet ripe fruity apple pear pineapple grape strawberry winey green | |
| Odor Description: at 100.00 %. | sweet ripe fruity apple pear pineapple grape strawberry wine green |
| sweet ripe fruity apple pear pineapple grape strawberry fermented cognac juicy tutti frutti juicy fruit | |
| Odor Description: at 1.00 %. | Sweet, ripe, fruity apple, pear, pineapple, grape and strawberry notes. It imparts a slightly fermented cognac nuance and has juicy tutti frutti and juicy fruit-like nuances Mosciano, Gerard P&F 26, No. 2, 40, (2001) |
| Flavor Type: waxy | |
| sweet waxy fruity pineapple pear apple citrus green grassy | |
| Taste Description: at 5.00 - 15.00 ppm. | Sweet, waxy, fruity pineapple, pear, apple and citrus notes with a slight green grassy nuance Mosciano, Gerard P&F 26, No. 2, 40, (2001) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Propyl Heptanoate 95% |
| Grau Aromatics |
| PROPYL-HEPTANOATE
NI, Kosher |
| Inoue Perfumery |
| PROPYL HEPTANOATE |
| Jiangyin Healthway |
| Propyl Heptanoate |
| New functional food ingredients |
| Kingchem Laboratories |
| PROPYL HEPTANOATE
Odor: Fruity pineapple |
| Lluch Essence |
| PROPYL HEPTANOATE |
| Penta International |
| PROPYL HEPTANOATE |
| SRS Aromatics |
| PROPYL HEPTANOATE |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
|
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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 propyl heptanoate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.14 (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: | - | 18.00000 | |
| beverages(nonalcoholic): | - | 3.80000 | |
| beverages(alcoholic): | - | 3.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.10000 | |
| fruit ices: | - | 5.10000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.90000 | |
| 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 ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 229377 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| propyl heptanoate | |
| Chemidplus: | 0007778872 |
References:
| propyl heptanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7778-87-2 |
| Pubchem (cid): | 229377 |
| Pubchem (sid): | 135262950 |
| 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): | HMDB34457 |
| FooDB: | FDB012866 |
| 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 | |
| apricot | FR | |
| coffee | FR | |
| cognac | FR | |
| grape white grape | FL | |
| pear | FR | |
| pineapple | FR | |
| whiskey | FL | |
| wine | FR |
Occurrence (nature, food, other): note
| apple fruit Search PMC Picture | |
| rum Search PMC Picture |
Synonyms:
| heptanoic acid propyl ester | |
| heptanoic acid, propyl ester | |
| propyl heptoate | |
| propyl heptylate | |
| N- | propyl heptylate |
| propyl-heptanoate |