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alpha-terpinyl acetate
General Material Information
| Preferred name | alpha-terpinyl acetate |
| Trivial Name | (±)-α-Terpinyl acetate |
| Short Description | 2-(4-methyl-3-cyclohexen-1-yl)-2-propanyl acetate |
| Formula | C12 H20 O2 |
| CAS Number | 80-26-2 |
| Deleted CAS Number | 104806-93-1 |
| FEMA Number | 3047 |
| ECHA Number | 201-265-7 |
| FDA UNII | 9RXE0I9F2J |
| Nikkaji Number | J1.301C |
| Beilstein Number | 3198769 |
| MDL | MFCD00037155 |
| COE Number | 205 |
| xLogP3-AA | 2.40 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 80-26-2 ; TERPINYL 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
| 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 80-26-2 |
| Pubchem (cid): | 111037 |
| Pubchem (sid): | 135068685 |
| Flavornet: | 80-26-2 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C12300 |
| HMDB (The Human Metabolome Database): | HMDB39477 |
| FooDB: | FDB008756 |
| YMDB (Yeast Metabolome Database): | YMDB01791 |
| Export Tariff Code: | 2915.39.9050 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 196.28979492188 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.938 to 8.005 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.956 to 8.022 |
| Refractive Index | 1.463 to 1.467 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.039 mmHg @ 25 °C |
| Flash Point TCC Value | 99.44 °C TCC |
| logP (o/w) | 3.96 |
| Shelf life | 36 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| kerosene | Yes |
| paraffin oil | Yes |
| propylene glycol | Yes |
| water, 18.97 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| detergent perborate | Unspecified |
| fabric softener | Unspecified |
| hard surface cleaner | Unspecified |
| liquid detergent | Unspecified |
| non-discoloring in most media | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Herbal | |
| herbal, bergamot, lavender, lime, citrus, spicy, woody, floral, waxy, clean | |
| Odor strength | medium |
| Substantivity | 20 hour(s) at 100.00 % |
| Luebke, William tgsc, (1981) | At 100.00 %. herbal bergamot lavender lime citrus |
| Mosciano, Gerard P&F 22, No. 4, 75, (1997) | Herbal, citrus, spicy, woody, floral, waxy and clean |
| Flavor Type: Woody | |
| woody, citrus, spicy, floral, grapefruit, seedy | |
| Mosciano, Gerard P&F 22, No. 4, 75, (1997) | At 12.50 ppm. Woody, citrus, spicy, floral, grapefruit and seedy |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Almond , Apricot , Bergamot , Cajeput , Cardamom oil replacer , Cherry , Citrus , Cologne , Currant black currant , Cypress oil replacer , Evergreen , Fern , Fir needle oil replacer , Fresh and clean , Gooseberry , Grapefruit , Lavender , Lemon , Lime , Niaouli , Orange , Orange bitter orange peel , Peach , Plum , Plum mirabelle plum , Raspberry , Sage , Spring rain |
| Flavoring purposes | Cajeput , Orange bitter orange peel , Plum greengage plum |
| Other purposes | Jicky , Presence , Seedy , Tide |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H319 - Causes serious eye irritation | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. | |
| Human Experience: | |
| 5 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 5075 mg/kg SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-mouse LD50 4800 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(10), Pg. 27, 1993. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| inhalation-mammal (species unspecified) LC50 > 1000 mg/m3 Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(10), Pg. 27, 1993. | |
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 alpha-terpinyl acetate usage levels up to: | |||
| 30.0000 % in the fragrance concentrate. | |||
| 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: | - | 15.00000 | |
| beverages(nonalcoholic): | - | 3.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 14.00000 | 260.00000 | |
| condiments / relishes: | - | 15.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.20000 | |
| fruit ices: | - | 3.20000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 9.90000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 1.70000 | 40.00000 | |
| 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
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):80-26-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :111037 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate |
| Chemidplus:0000080262 |
| RTECS:OT0200000 for cas# 80-26-2 |