6-acetoxydihydrotheaspirane
6-dihydrotheaspirane acetate
Identification
| Name | 6-acetoxydihydrotheaspirane |
| EINECS | 261-050-9 |
| FDA UNII | Search |
| Molecular Formula | C15 H26 O3 |
| Molecular Weight | 254.36982000 |
| MDL Number | MFCD00238524 |
| Nikkaji Number | J447.167I |
Regulatory
| JECFA Food Flavoring | 1647 6-acetoxydihydrotheaspirane |
| DG SANTE Food Flavourings | 13.087 6-acetoxydihydrotheaspirane |
| FEMA Number | 3651 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 72541-09-4 ; 6-ACETOXYDIHYDROTHEASPIRANE |
Physical Properties
| Appearance | white crystalline solid (est) |
| Assay | 96.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Melting Point | 50.00 to 53.00 °C. @ 760.00 mm Hg |
| Boiling Point | 293.00 to 295.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point | 260.00 °F. TCC ( 126.67 °C. ) |
| logP (o/w) | 3.658 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 1.00 % in dipropylene glycol. |
Safety Information
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| 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 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 |
| 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) | 1.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | - |
| Edible ices, including sherbet and sorbet (03.0) | 1.00000 |
| Processed fruit (04.1) | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 10.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 2.00000 |
| 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) | 1.00000 |
| 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) | 2.00000 |
| Ready-to-eat savouries (15.0) | 1.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | - |
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Potential Uses
Natural Occurrence
Synonyms
6-
dihydrotheaspirane acetate
iso
spirene
1-oxa
spiro[4.5]decan-6-ol, 2,6,10,10-tetramethyl-, acetate
2RS,5SR,6SR-2,6,10,10-
tetramethyl-1-oxaspiro 4,5 dec-6-yl acetate
(2,6,10,10-
tetramethyl-1-oxaspiro(4.5)dec-6-yl) acetate
(2a,5a(S*))-2,6,10,10-
tetramethyl-1-oxaspiro(4.5)decan-6-yl acetate
(2alpha,5alpha(S*))-2,6,10,10-
tetramethyl-1-oxaspiro(4.5)decan-6-yl acetate
2,6,10,10-
tetramethyl-1-oxaspiro(4.5)decan-6-yl acetate
2,6,10,10-
tetramethyl-1-oxaspiro[4.5]dec-6-yl acetate
[(2R,5R,10R)-2,6,6,10-
tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
[(2R,5R,10S)-2,6,6,10-
tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
[(2R,5S,10R)-2,6,6,10-
tetramethyl-1-oxaspiro[4.5]decan-10-yl] acetate
[2a,5a(S*)]-2,6,10,10-
tetramethyl-1-oxaspiro[4.5]decan-6-yl acetate
2,6,10,10-
tetramethyl-1-oxaspiro[4.5]decan-6-yl acetate
US Patents:
4,014,905 - Esters of certain tetramethyl and pentamethyl-1-oxa-spiro [4-5] decan-6-ols with certain alkanoic acids