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(1S,5R)-myrtenyl acetate
General Material Information
| Preferred name | (1S,5R)-myrtenyl acetate |
| Trivial Name | Myrtenyl acetate |
| Short Description | [(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl acetate |
| Formula | C12 H18 O2 |
| CAS Number | 1079-01-2 |
| FEMA Number | 3765 |
| ECHA Number | 214-088-5 |
| FDA UNII | TI50YAB469 |
| Nikkaji Number | J217.202J |
| Beilstein Number | 4309977 |
| MDL | MFCD00126976 |
| COE Number | 10887 |
| xLogP3-AA | 2.20 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 982 myrtenyl acetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 1079-01-2 ; MYRTENYL ACETATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & 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 |
Suppliers
| BOC Sciences | Moellhausen |
| Nippon Terpene Chemicals | Penta International |
| Symrise | Synerzine |
| Moellhausen S.P.A. | Penta International Corporation |
| Symrise AG | Synerzine, Inc. |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 194.27386474609 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.213 to 8.288 |
| Refractive Index | 1.47 to 1.477 @ 20 °C |
| Optical Rotation | -45 to -47 |
| Boiling Point | 134 to 135°C @ 38 mm Hg |
| Vapor Pressure | 0.032 mmHg @ 25 °C |
| Flash Point TCC Value | 97.78 °C TCC |
| logP (o/w) | 3.537 est |
| Solubility | |
| alcohol | Yes |
| water, 26.12 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Herbal | |
| herbal, fresh, sweet, fruity, citrus, woody, cedar, floral, green, cooling | |
| Luebke, William tgsc, (1989) | At 100.00 %. herbal fresh sweet fruity citrus |
| Mosciano, Gerard P&F 18, No. 3, 53, (1993) | Woody, cedar-like with floral, green and cooling nuances |
| Flavor Type: Woody | |
| woody, cedar, fruity, floral | |
| Mosciano, Gerard P&F 18, No. 3, 53, (1993) | At 10.00 ppm. Woody, cedar-like, with fruity and floral nuances |
| Useful in: mint, savory spices, fruity citrus, fruity red. | Woody, Herbal, Juniper, Terpenic |
| General comment | -citrus, slightly herbaceous; woody, cedar-like, floral nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Bergamot, Berry, Cherry, Citrus, Fruit, Herbal, Mint |
| Flavoring purposes | Tropical |
| Cosmetic purposes | Perfuming agents |
Safety Information
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 (05.3): | 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
| 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 |