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[(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 2-methylpropanoate
Notes:
Used as a food additive [EAFUS]
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Associate Allied Chemicals Quality, Service and Values Our aim is to become a reliable one-stop shop for our customers. Distributor and Agents of high quality raw materials for the fragrance, flavour and cosmetic industry. Partnering and sourcing raw materials directly from some of the best recognised names to provide consistent quality to our esteemed customers. Email: Info Email: Sachin Gandhi Voice: +91 22 2419 8800 Fax: +91 22 2413 5786 About Product(s): Isobornyl Isobutyrate
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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): 85586-67-0 isoBornyl Isobutyrate
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Indukern, S.A. F&F Ingredients Division Commitment to quality Idukern F&F Ingredients is your partner for the fragrance and flavor ingredients. Indukern F&F focuses in particular on the service it offers its clients in terms of quality, speed and direct consultancy with more than 1600 different products in stock ready for prompt shipment: Aromachemicals, Essential Oils and Natural Isolates. Email: Info Email: Luciana Soares (Brazil) Email: Gabriela Garcia (Mexico) Email: Jorge Eduardo Clavijo (Colombia) Voice: +34 93 506 91 00 Fax: +34 93 506 91 95 Services Quality Facilities Products List: View Product(s): ISOBORNYL ISOBUTYRATE
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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): ISOBORNYL ISOBUTYRATE
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Moellhausen S.P.A. THE CHEMISTRY OF EMOTIONS Innovation and commitment in the name of excellence. After 50 years in business, Moellhausen stands out as one of the world’s leading family-run companies in the industry of flavors and fragrances, raw materials, and specialties. Voice: +39 039.685.6262 Fax: +39 039.685.6263 Facebook Twitter Linkedin Youtube A network of knowledge to grow together Sustainability is at the foundation of a Pervasive technology and total control Product(s): 119064 IsoBORNYL ISOBUTYRATE
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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): 09-35850 ISOBORNYL ISOBUTYRATE
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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): isoBornyl Isobutyrate
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The John D. Walsh Company, Inc Suppliers Since 1942 Supplying the fragrance and flavor industry with high quality products. The John D. Walsh Company, Inc. has evolved from its beginnings as an agent/broker into a distributor of essential oils, aroma chemicals, concretes and absolutes. We currently represent the following companies, as their North American distributor: Destilerias Munoz Galvez, S.A. International Flavors & Fragrances PFW Aroma Chemicals B.V. Innospec Widnes Limited Hydrodiffusion de Guatemala, S. A. DSM Nutritional Products The John D. Walsh Company, Inc. is proud to be a founding member of IFEAT, an active member of IFRA, North America, and a corporate sponsor of the WFFC. Email: Information Email: Sales Email: Firmenich Flavor inquiries Voice: 973-962-1400 Fax: 973-962-1557 Firmenich Flavor Phone: 973-962-1888 Firmenich Flavor Fax: 973-962-1898 History Product(s): isoBornyl Isobutyrate
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Vigon International Passion for Simplicity Manufacturer and supplier of high quality flavor and fragrance ingredients. The growth and success of Vigon is due in large part to a unique corporate concept that Vigon has developed and established within the industry: Creative Partnerships. This partnership concept has been and continues to be the foundation and guiding principle for all of Vigon's activities. US Email: Sales US Voice: 570-476-6300 US Fax: 570-476-1110 Facebook Twitter Linkedin Newsletter Blog Products List: View Product(s): 503332 Isobornyl Isobutyrate
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| CAS Number: | 85586-67-0 |  3D/inchi
|
| Other(deleted CASRN): | 149714-10-3 | |
| ECHA EINECS - REACH Pre-Reg: | 287-872-8 | |
| FDA UNII: | 0HWY1Q2V54 | |
| Nikkaji Web: | J331.066C | |
| MDL: | MFCD03424217 | |
| XlogP3: | 4.30 (est) | |
| Molecular Weight: | 224.34368000 | |
| Formula: | C14 H24 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | Racemate (±) = DL-Isobornyl isobutyrate. CASrn in Register refers to (1R,2R,4R)-rel. Register name to be changed to DL-Isobornyl isobutyrate (EFFA, 2011m). | |
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: | 1863 isobornyl isobutyrate |
| DG SANTE Food Flavourings: | 09.584 isobornyl isobutyrate |
| FEMA Number: | 4146 isobornyl isobutyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 85586-67-0 ; ISOBORNYL ISOBUTYRATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.95500 to 0.96800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.947 to 8.055 |
| Refractive Index: | 1.45600 to 1.46600 @ 20.00 °C. |
| Boiling Point: | 244.00 to 245.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 131.00 to 133.00 °C. @ 19.00 mm Hg |
| Vapor Pressure: | 0.031000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 222.00 °F. TCC ( 105.56 °C. ) |
| logP (o/w): | 4.379 (est) |
| Soluble in: | |
| alcohol | |
| water, 2.779 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: balsamic | |
| Odor Strength: | medium |
| Substantivity: | 19 hour(s) at 100.00 % |
| balsamic herbal fir needle spicy earthy woody | |
| Odor Description: at 100.00 %. | balsam herbal fir needle spicy earthy woody Luebke, William tgsc, (2009) |
| Flavor Type: balsamic | |
| fir needle balsamic spicy herbal camphoreous woody soapy | |
| Taste Description: | fir needle balsamic spicy herbal camphoreous woody soapy Luebke, William tgsc, (2009) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Associate Allied Chemicals |
| Isobornyl Isobutyrate |
| About |
| Axsyn |
| For experimental / research use only. |
| Propanoic acid,2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel- |
| Bell Flavors & Fragrances |
| Silvanat |
| BOC Sciences |
| For experimental / research use only. |
| isoBornyl Isobutyrate |
| fnfsurplus.com |
| isoBornyl Iso Buty |
| Indukern F&F |
| ISOBORNYL ISOBUTYRATE |
| Lluch Essence |
| ISOBORNYL ISOBUTYRATE |
| Moellhausen |
| IsoBORNYL ISOBUTYRATE
Odor: camphoraceous, coniferous, slightly fruity Flavor: coniferous, woody, camphoraceous |
| Penta International |
| ISOBORNYL ISOBUTYRATE |
| Reincke & Fichtner |
| isoBornyl Isobutyrate |
| Taytonn ASCC |
| isoBornyl Isobutyrate
Odor: Fruity, Herbal/ Herbaceous, Pine |
| The John D. Walsh Company |
| isoBornyl Isobutyrate |
| Ungerer & Company |
| isoBornyl Iso Butyrate |
| Vigon International |
| Isobornyl Isobutyrate
Odor: balsam herbal fir needle spicy earthy woody Use: Luebke, William tgsc, (2009) Flavor: fir needle balsamic spicy herbal camphoreous woody soapy Luebke, William tgsc, (2009) |
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. | |
| 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 isobornyl isobutyrate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.085 (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 | 50.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 5.00000 | 25.00000 | |
| cheese: | 7.00000 | 35.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 10.00000 | 50.00000 | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 25.00000 | |
| fish products: | 2.00000 | 10.00000 | |
| frozen dairy: | 7.00000 | 35.00000 | |
| fruit ices: | 10.00000 | 50.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 20.00000 | 100.00000 | |
| imitation dairy: | 7.00000 | 35.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 5.00000 | 25.00000 | |
| milk products: | 7.00000 | 35.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | 2.00000 | 10.00000 | |
| processed fruits: | 7.00000 | 35.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 5.00000 | 25.00000 | |
| snack foods: | - | - | |
| soft candy: | 20.00000 | 100.00000 | |
| soups: | 5.00000 | 25.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 5.00000 | 25.00000 | |
| 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 47, (FGE.47)[1] - Bicyclic secondary alcohols, ketones and related esters from chemical group 8 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Flavouring Group Evaluation 87, (FGE.87)[1] - Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 47, Revision 1 (FGE.47Rev1): Bi- and tricyclic secondary alcohols, ketones and related esters from chemical group 8 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 85586-67-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 174490 |
| National Institute of Allergy and Infectious Diseases: | Data |
| [(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 2-methylpropanoate | |
| Chemidplus: | 0085586670 |
References:
| [(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 2-methylpropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 174490 |
| Pubchem (sid): | 135192108 |
| 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): | HMDB32342 |
| FooDB: | FDB009637 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| balsam | FR | |
| fir | ||
| herbal | FR | |
| pine | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| calamus Search Trop Picture | |
| chamomile german chamomile Search Trop Picture | |
| myrrh Search Trop Picture | |
| strobilanthes auriculatus Search Trop Picture |
Synonyms:
| iso | bornyl iso butyrate |
| propanoic acid,2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel- | |
| silvanat | |
| exo-1,7,7- | trimethyl bicyclo(2.2.1)hept-2-yl isobutyrate |
| [(1R,4R,6R)-1,7,7- | trimethyl-6-bicyclo[2.2.1]heptanyl] 2-methylpropanoate |
| exo-1,7,7- | trimethylbicyclo(2.2.1)hept-2-yl isobutyrate |