Articles:
[(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl acetate
Notes:
None found
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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): 1079-01-2 ()-Myrtenyl Acetate
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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): 100565 MYRTENYL 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): 13-86700 MYRTENYL ACETATE
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Symrise AG Always Insiring More Symrise aroma molecules & cosmetic ingredients for unique and innovative fragrances, flavors and cosmetics. We are globally recognized as a leading provider of fragrances, flavors and active ingredients as well as aroma chemicals for the perfume, cosmetic, pharmaceutical, food and beverage industries. We combine our knowledge about consumers’ ever- changing needs with creativity and ground-breaking technologies. In doing so, we concentrate on the development of solutions that provide our customers with added value. We ensure sustained value creation by allowing our employees and shareholders to share our Company’s success. US Email: Life Essentials Email: Aroma Molecules Voice: +49 5531 90 0 Twitter Linkedin Youtube Newsroom RSS Feed Product(s): 103524 Myrtenyl acetate
Useful in: mint, savory spices, fruity citrus, fruity red.
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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): W1348 Myrtenyl Acetate
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| Flavor Demo Formulas | ||
| CAS Number: | 1079-01-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 214-088-5 | |
| FDA UNII: | TI50YAB469 | |
| Nikkaji Web: | J217.202J | |
| Beilstein Number: | 4309977 | |
| MDL: | MFCD00126976 | |
| CoE Number: | 10887 | |
| XlogP3-AA: | 2.20 (est) | |
| Molecular Weight: | 194.27386000 | |
| Formula: | C12 H18 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | Racemate (EFFA, 2017) CASrn in the Union List to be changed to 35670-93-0 | |
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: | 982 myrtenyl acetate |
| DG SANTE Food Flavourings: | 09.302 myrtenyl acetate |
| FEMA Number: | 3765 myrtenyl acetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1079-01-2 ; MYRTENYL ACETATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.98700 to 0.99600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.213 to 8.288 |
| Refractive Index: | 1.47000 to 1.47700 @ 20.00 °C. |
| Optical Rotation: | -45.00 to -47.00 |
| Boiling Point: | 134.00 to 135.00 °C. @ 38.00 mm Hg |
| Vapor Pressure: | 0.032000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 208.00 °F. TCC ( 97.78 °C. ) |
| logP (o/w): | 3.537 (est) |
| Soluble in: | |
| alcohol | |
| water, 26.12 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: herbal | |
| herbal fresh sweet fruity citrus | |
| Odor Description: at 100.00 %. | herbal fresh sweet fruity citrus Luebke, William tgsc, (1989) |
| woody cedar floral green cooling | |
| Odor Description: | Woody, cedar-like with floral, green and cooling nuances Mosciano, Gerard P&F 18, No. 3, 53, (1993) |
| Flavor Type: woody | |
| woody cedar fruity floral | |
| Taste Description: at 10.00 ppm. | Woody, cedar-like, with fruity and floral nuances Mosciano, Gerard P&F 18, No. 3, 53, (1993) |
| Odor and/or flavor descriptions from others (if found). | |
| Symrise | |
| Myrtenyl acetate | |
| Taste Description: | Woody, Herbal, Juniper, Terpenic Useful in: mint, savory spices, fruity citrus, fruity red. |
| Moellhausen | |
| MYRTENYL ACETATE | |
| Odor Description: | fresh herbal-floral, characteristic for myrtle leaf oil |
| Taste Description: | -citrus, slightly herbaceous; woody, cedar-like, floral nuances |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| ()-Myrtenyl Acetate |
| Moellhausen |
| MYRTENYL ACETATE
Odor: fresh herbal-floral, characteristic for myrtle leaf oil Flavor: -citrus, slightly herbaceous; woody, cedar-like, floral nuances |
| Nippon Terpene Chemicals |
| Myrtenyl acetate 95% up |
| Penta International |
| MYRTENYL ACETATE |
| Symrise |
| Myrtenyl acetate
Flavor: Woody, Herbal, Juniper, Terpenic Useful in: mint, savory spices, fruity citrus, fruity red. |
| Synerzine |
| Myrtenyl Acetate |
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. S 36 - Wear suitable protective clothing. | |
| 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 2600 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 389, 1988. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 389, 1988. | |
| 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 (1S,5R)-myrtenyl acetate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.91 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.04 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1200 (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: 15 | |||
| Click here to view publication 15 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 31.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 15.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 30.00000 | |
| 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: | - | 10.00000 | |
| 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): | 5.00000 | 10.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | 5.00000 | 10.00000 | |
| Processed fruit (04.1): | 5.00000 | 10.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 5.00000 | 30.00000 | |
| Chewing gum (05.0): | 2.00000 | 30.00000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 10.00000 | |
| Bakery wares (07.0): | 2.00000 | 5.00000 | |
| Meat and meat products, including poultry and game (08.0): | - | - | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | - | - | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 1.00000 | 4.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 2.40000 | 4.00000 | |
| Ready-to-eat savouries (15.0): | - | - | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 1.00000 | 20.00000 | |
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): | |
| Scientific Opinion on Flavouring Group Evaluation 208 Revision 1 (FGE.208Rev1): Consideration of genotoxicity data on representatives for 10 alicyclic aldehydes with the a,ß-unsaturation in ring / side-chain and precursors from chemical subgroup 2.2 of View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 208 Revision 2 (FGE.208Rev2): Consideration of genotoxicity data on alicyclic aldehydes with a,ß-unsaturation in ring/side-chain and precursors from chemical subgroup 2.2 of FGE.19 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 73,
Revision 4 (FGE.73Rev4): consideration of alicyclic alcohols,
aldehydes, acids and related esters evaluated by JECFA
(59th and 63rd meeting) structurally related to primary
saturated or unsaturated alicyclic alcohols, aldehydes,
acids and esters evaluated by EFSA in FGE.12Rev5 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 208 Revision 3 (FGE.208Rev3): consideration of genotoxicity data on alicyclic aldehydes with a,ß-unsaturation in ring/side-chain and precursors from chemical subgroup 2.2 of FGE.19 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 73, Revision 5 (FGE.73Rev5): consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th, 63rd and 86th meeting) and structurally related to substances evaluated in FGE.12Rev5 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 1079-01-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 11435490 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl acetate | |
| Chemidplus: | 0001079012 |
| RTECS: | DT6500000 for cas# 1079-01-2 |
References:
| [(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1079-01-2 |
| Pubchem (cid): | 11435490 |
| Pubchem (sid): | 135017017 |
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): | Search |
| Export Tariff Code: | 2915.39.9050 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| bergamot | FR | |
| berry | FR | |
| cherry | FR | |
| citrus | FR | |
| fruit | FR | |
| herbal | FR | |
| mint | FR | |
| tropical | FL |
Occurrence (nature, food, other): note
| armoise oil morocco @ trace% Data GC Search Trop Picture | |
| crithmum maritimum l. oil turkey @ 0.10% Data GC Search Trop Picture | |
| guava leaf oil cuba @ trace% Data GC Search Trop Picture | |
| labdanum leaf oil @ 0.40% Data GC Search Trop Picture | |
| lemongrass oil morocco @ 0.30% Data GC Search Trop Picture | |
| pteronia oil @ 0.10% Data GC Search Trop Picture | |
| valerian root oil @ trace-9.1% Data GC Search Trop Picture |
Synonyms:
| (1S)-(6,6- | dimethyl bicyclo(3.1.1)hept-2-en-2-yl) methyl acetate |
| (1S)-6,6- | dimethyl bicyclo(3.1.1)hept-2-ene-2-methanol acetate |
| (1S)-(6,6- | dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate |
| [(1S,5R)-6,6- | dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl acetate |
| (+)- | myrtenyl acetate |
| (1S,5R)-2- | pinen-10-ol acetate |
| (1S,5R)-2- | pinen-10-yl acetate |