| Trivial Name | 6-acetoxydihydrotheaspirane |
| Short Description | 6-dihydrotheaspirane acetate |
| Formula | C15 H26 O3 |
| CAS Number | 57893-27-3 |
| CAS Number | 57967-72-3 |
| CAS Number | 57967-73-4 |
| CAS Number | 57967-74-5 |
| CAS Number | 72541-09-4 |
| FEMA Number | 3651 |
| Flavis Number | 13.087 |
| ECHA Number | 261-005-3 |
| FDA UNII | 5V7Y54AAIG |
| Nikkaji Number | J300.183K |
| MDL | MFCD00238524 |
| xLogP3-AA | 3.10 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1647 6-acetoxydihydrotheaspirane |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 72541-09-4 ; 6-ACETOXYDIHYDROTHEASPIRANE |
| Synonyms |
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| 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 |
| [2a,5a(S*)]-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 57893-27-3 |
| Pubchem (cid): | 93838 |
| Pubchem (sid): | 135050797 |
| [(2R,5S,10R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 57967-72-3 |
| Pubchem (cid): | 108785 |
| Pubchem (sid): | 135065556 |
| [(2R,5R,10R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 57967-73-4 |
| Pubchem (cid): | 108786 |
| Pubchem (sid): | 135065557 |
| [(2R,5R,10S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 57967-74-5 |
| Pubchem (cid): | 108787 |
| Pubchem (sid): | 135065558 |
| (2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl) acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 72541-09-4 |
| Pubchem (cid): | 93838 |
| Pubchem (sid): | 135268079 |
| Publications by US Patents | |
| 4,014,905 - Esters of certain tetramethyl and pentamethyl-1-oxa-spiro [4-5] decan-6-ols with certain alkanoic acids | |
| (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): | HMDB40276 |
| FooDB: | FDB019995 |
| Export Tariff Code: | 2915.39.9050 |
| ChemSpider: | View |
| BOC Sciences | Parchem |
| Synerzine | Synerzine, Inc. |
| Material listed in food chemical codex | No |
| Molecular weight | 254.36982727051 |
| Melting Point | 50 to 53°C @ 760 mm Hg |
| Boiling Point | 293 to 295°C @ 760 mm Hg |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 126.67 °C TCC |
| logP (o/w) | 3.658 est |
| Solubility | |
| alcohol | Yes |
| water, 4.081 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Herbal | |
| citrus, herbal, tea green tea, tangerine, grapefruit, mango, passion fruit | |
| General comment | At 1.00 % in dipropylene glycol. powerful citrus herbal green tea tangerine grapefruit mango passion fruit |
| Applications | |
| Odor purposes | Abronia, Ash mountain ash berry, Bergamot, Calamus oil replacer, Cedrat, Chamomile, Champaca, Cilantro, Citronella, Citrus, Clary sage oil replacer, Cologne, Colonia, Currant bud absolute replacer, Genet, Ginger, Grapefruit, Herbal, Kumquat, Lemon, Lemongrass, Lime, Linden flower, Litsea cubeba, Mandarin, Mango, Melissa oil replacer, Mock orange, Orange, Orange bitter orange peel, Passion fruit, Rhubarb, Rose tea rose, Tangerine, Tea green tea, Verbena, Yerba mate |
| Flavoring purposes | Cilantro, Curacao, Currant bud absolute replacer, Litsea cubeba, Necterine, Orange bitter orange peel, Tea, Tea black tea, Tea herbal tea, Tea lemon tea, Yerba mate |
| Other purposes | Tea china |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 6-acetoxydihydrotheaspirane usage levels up to: | |||
| 0.1000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 940 (μg/person/day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| Structure Class: | II | ||
| 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.50000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 0.30000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 0.20000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | 0.05000 | |
| jams / jellies: | - | - | |
| meat products: | - | 0.50000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | 0.10000 | |
| snack foods: | - | 0.50000 | |
| soft candy: | - | - | |
| soups: | - | 0.20000 | |
| 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): | 1.00000 | 8.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | 1.00000 | 80.00000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 20.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 2.00000 | 7.00000 | |
| Bakery wares (07.0): | 2.00000 | 6.00000 | |
| 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): | 1.00000 | 10.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 1.00000 | 5.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 2.00000 | 10.00000 | |
| Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - | |
| 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 90 (FGE.90): Consideration of Aliphatic, acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances evaluated by JECFA (68th meeting)FGE.18Rev1 (2009) View page or View pdf |
| Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 90, Revision 1 (FGE.90Rev1): consideration of six substances evaluated by JECFA (68th meeting) structurally related to aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters evaluated by EFSA in FGE.18Rev1 and FGE.75Rev1 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):57893-27-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :93838 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| [2a,5a(S*)]-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl acetate |
| Chemidplus:0057893273 |
| [(2R,5S,10R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate |
| Chemidplus:0057967723 |
| [(2R,5R,10R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate |
| Chemidplus:0057967734 |
| [(2R,5R,10S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate |
| Chemidplus:0057967745 |
| (2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl) acetate |
| Chemidplus:0072541094 |