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bornyl isovalerate (endo-)
Notes:
Accentuate warm herbal notes. Flavouring agent
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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): 76-50-6 Bornyl Isovalerate 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): HLO252 Bornyl Isovalerate
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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): 02-37200 BORNYL ISOVALERATE
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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): W0213 Bornyl Isovalerate
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| CAS Number: | 76-50-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 200-966-5 | |
| FDA UNII: | 4P1Q0678RW | |
| Nikkaji Web: | J310.770A | |
| MDL: | MFCD00053464 | |
| CoE Number: | 451 | |
| XlogP3: | 4.60 (est) | |
| Molecular Weight: | 238.37062000 | |
| Formula: | C15 H26 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | Racemate (±) = DL-Bornyl isovalerate. CASrn in Register refers to (1R,2S,4R)-rel. Register name to be changed to DL-Bornyl isovalerate (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: | 1393 bornyl isovalerate (endo-) |
| DG SANTE Food Flavourings: | 09.456 DL-bornyl isovalerate |
| FEMA Number: | 2165 bornyl isovalerate (endo-) |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 76-50-6 ; BORNYL ISOVALERATE |
| 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:
Organoleptic Properties:
| Odor Type: herbal | |
| valerian root camphoreous tropical | |
| Odor Description: at 100.00 %. | valerian camphor tropical |
| 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. |
| Bornyl Isovalerate 95% |
| Jiangyin Healthway |
| Bornyl Isovalerate |
| New functional food ingredients |
| Penta International |
| BORNYL ISOVALERATE |
| Synerzine |
| Bornyl Isovalerate |
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: | |
|
oral-rat LD50 > 5000 mg/kg (Denine, 1973b) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 831, 1974. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 831, 1974. subcutaneous-mouse LDLo 2000 mg/kg Annales Pharmaceutiques Francaises. Vol. 14, Pg. 710, 1956. | |
| 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 (-)-bornyl isovalerate usage levels up to: | |||
| 20.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.50 (μg/capita/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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.90000 | 2.00000 | |
| beverages(nonalcoholic): | 0.06000 | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.40000 | 1.00000 | |
| fruit ices: | 0.40000 | 1.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.90000 | 2.00000 | |
| 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf | |
| 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 87 Revision 1 (FGE.87Rev1): 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) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 87, Revision 2 (FGE.87Rev2): 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.47Rev1 (2008) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 76-50-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 23623651 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate | |
| Chemidplus: | 0000076506 |
| RTECS: | EK7902550 for cas# 76-50-6 |
References:
| [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 76-50-6 |
| Pubchem (cid): | 23623651 |
| Pubchem (sid): | 135017569 |
| Flavornet: | 76-50-6 |
| 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 |
| KEGG (GenomeNet): | C16920 |
| HMDB (The Human Metabolome Database): | HMDB38248 |
| FooDB: | FDB017540 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| berry | FR | |
| disinfectants | ||
| fir needle oil replacer | FR | |
| herbal | FR | |
| lavender | FR | |
| pineapple | FR | |
| raspberry | FR | |
| valerian | FL/FR | |
| violet leaf | FR |
Occurrence (nature, food, other): note
| angelica root oil Search Trop Picture | |
| valerian Search Trop Picture | |
| valeriana wallichii Search Trop Picture |
Synonyms:
| endo- | bornyl 3-methyl butanoate |
| 2- | bornyl 3-methyl butyrate |
| endo- | bornyl 3-methylbutanoate |
| 2- | bornyl 3-methylbutyrate |
| bornyl isopentanoate | |
| bornyl isovalerate | |
| 2- | bornyl isovalerate |
| DL- | bornyl isovalerate |
| dextro- | bornyl isovalerate |
| endo- | bornyl isovalerate |
| bornyl isovalerate (endo-) | |
| bornyl isovalerianate | |
| bornyval | |
| endo-3- | methyl butanoic acid 1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl ester |
| rel-(1R,2S,4R)-1,7,7-3- | methyl butanoic acid trimethyl bicyclo(2.2.1)hept-2-yl ester |
| endo-3- | methylbutanoic acid 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester |
| rel-(1R,2S,4R)-1,7,7-3- | methylbutanoic acid trimethylbicyclo(2.2.1)hept-2-yl ester |
| endo-1,7,7- | trimethyl bicyclo(2.2.1)hept-2-yl 3-methyl butanoate |
| [(1S,3R,4S)-4,7,7- | trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate |
| endo-1,7,7- | trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate |
| iso | valeric acid 2-bornyl ester |