(1S,5R)-myrtenyl acetate
[(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl acetate
Identification
| Name | (1S,5R)-myrtenyl acetate |
| IUPAC | [(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl acetate |
| CAS Number | 1079-01-2 |
| EINECS | 214-088-5 |
| FDA UNII | TI50YAB469 |
| Molecular Formula | C12 H18 O2 |
| Molecular Weight | 194.27386000 |
| MDL Number | MFCD00126976 |
| Nikkaji Number | J217.202J |
| Beilstein | 4309977 |
| CoE Number | 10887 |
Regulatory
| JECFA Food Flavoring | 982 myrtenyl acetate |
| DG SANTE Food Flavourings | 09.302 myrtenyl acetate |
| FEMA Number | 3765 |
| 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 |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 100.00 %. Woody, cedar-like with floral, green and cooling nuances fresh herbal-floral, characteristic for myrtle leaf oil
|
| Odor sample from | Symrise AG |
| Taste Description |
at 10.00 ppm. Woody, Herbal, Juniper, Terpenic -citrus, slightly herbaceous; woody, cedar-like, floral nuances
|
Safety Information
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 2600 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 5000 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| 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 |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| 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 | - |
| Dairy products, excluding products of category 02.0 (01.0) | 5.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | - |
| Edible ices, including sherbet and sorbet (03.0) | 5.00000 |
| Processed fruit (04.1) | 5.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 5.00000 |
| Chewing gum (05.3) | 2.00000 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 5.00000 |
| Bakery wares (07.0) | 2.00000 |
| 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 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 2.40000 |
| 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 |
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Potential Uses
Natural Occurrence
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
PubMed:
Myrtus communis Essential Oil: Chemical Composition and Antimicrobial Activities against Food Spoilage Pathogens.
PubMed:
Review of Pharmacological Effects of Myrtus communis L. and its Active Constituents.
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Chemical composition and antioxidant properties of Laurus nobilis L. and Myrtus communis L. essential oils from Morocco and evaluation of their antimicrobial activity acting alone or in combined processes for food preservation.
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Chemical variability of Algerian Myrtus communis L.
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Essential oil from aerial parts of of Betonica grandiflora Willd. from Iran.
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Myrtus communis berry color morphs: a comparative analysis of essential oils, fatty acids, phenolic compounds, and antioxidant activities.
PubMed:
Oil constituents of Artemisia nilagirica var. septentrionalis growing at different altitudes.
PubMed:
Essential oil composition of three Australian endemic species of Darwinia (Myrtaceae).
PubMed:
Essential oil of Myrtus communis L. as a potential antioxidant and antimutagenic agents.
PubMed:
Essential oil composition of lady's mantle (Alchemilla xanthochlora Rothm.) growing wild in Alpine pastures.
PubMed:
Chemical composition and antimicrobial activity of the essential oils of Lavandula stoechas L. ssp. stoechas growing wild in Turkey.
PubMed:
Evolution of the yields and composition of essential oil from Portuguese myrtle (Myrtus comunis L.) through the vegetative cycle.
PubMed:
[Analysis of essential oil from different organs of Caryopteris tangutica].
PubMed:
Comparing the effect of sub-critical water extraction with conventional extraction methods on the chemical composition of Lavandula stoechas.
PubMed:
[Studies on chemical constituents of Valeriana officinalis].
PubMed:
25 years of natural product R&D with New South Wales agriculture.
PubMed:
Chemical composition of volatiles in Sardinian myrtle (Myrtus communis L.) alcoholic extracts and essential oils.
PubMed:
Chemical composition of the essential oil of Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon.
PubMed:
Gain and loss of fruit flavor compounds produced by wild and cultivated strawberry species.
PubMed:
Defensive odor emission from larvae of two sawfly species,Pristiphora erichsonii andP. wesmaeli.
PubMed:
Quantitative variation of pheromone components in the spruce bark beetleIps typographus from different attack phases.