Articles:
| US Patents: | 4,014,905 - Esters of certain tetramethyl and pentamethyl-1-oxa-spiro [4-5] decan-6-ols with certain alkanoic acids |
6-dihydrotheaspirane acetate
Notes:
Blends well with damascones. Flavouring ingredient
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 57893-27-3 6-Acetoxydihydrotheaspirane
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W01303 6-Acetoxydihydrotheaspirane
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| CAS Number: | 57893-27-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 261-005-3 | |
| FDA UNII: | 5V7Y54AAIG | |
| Nikkaji Web: | J300.183K | |
| MDL: | MFCD00238524 | |
| XlogP3-AA: | 3.10 (est) | |
| Molecular Weight: | 254.36982000 | |
| Formula: | C15 H26 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 57967-72-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 261-048-8 | |
| Nikkaji Web: | J300.190C | |
| XlogP3-AA: | 3.10 (est) | |
| Molecular Weight: | 254.36982000 | |
| Formula: | C15 H26 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 57967-73-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 261-049-3 | |
| Nikkaji Web: | J300.191A | |
| XlogP3-AA: | 3.10 (est) | |
| Molecular Weight: | 254.36982000 | |
| Formula: | C15 H26 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 57967-74-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 261-050-9 | |
| Nikkaji Web: | J300.192J | |
| XlogP3-AA: | 3.10 (est) | |
| Molecular Weight: | 254.36982000 | |
| Formula: | C15 H26 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 72541-09-4 |  3D/inchi
|
| Nikkaji Web: | J447.167I | |
| XlogP3-AA: | 3.10 (est) | |
| Molecular Weight: | 254.36982000 | |
| Formula: | C15 H26 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | (EFFA, 2006k). According to EFFA Assay min is 96-100 % (Sum of two isomers). Specifications (EFFA, 2006; EFFA. 2010). According to EFFA Assay min is 96-100% (Sum of two isomers). | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1647 6-acetoxydihydrotheaspirane |
| DG SANTE Food Flavourings: | 13.087 6-acetoxydihydrotheaspirane |
| FEMA Number: | 3651 6-acetoxydihydrotheaspirane |
| 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 | |
| water, 4.081 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: herbal | |
| citrus herbal tea green tea tangerine grapefruit mango passion fruit | |
| Odor Description: at 1.00 % in dipropylene glycol. | powerful citrus herbal green tea tangerine grapefruit mango passion fruit |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 6-Acetoxydihydrotheaspirane |
| Parchem |
| 6-Acetoxydihydrotheaspirane |
| Synerzine |
| 6-Acetoxydihydrotheaspirane |
Safety Information:
| 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 | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| 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 (05.0): | - | - | |
| 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): | - | - | |
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 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 |
References:
| [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 |
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): | HMDB40276 |
| FooDB: | FDB019995 |
| Export Tariff Code: | 2915.39.9050 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| abronia | FR | |
| ash mountain ash berry | FR | |
| bergamot | FR | |
| calamus oil replacer | FR | |
| cedrat | FR | |
| chamomile | FR | |
| champaca | FR | |
| cilantro | FL/FR | |
| citronella | FR | |
| citrus | FR | |
| clary sage oil replacer | FR | |
| cologne | FR | |
| colonia | FR | |
| curacao | FL | |
| currant bud absolute replacer | FL/FR | |
| genet | FR | |
| ginger | FR | |
| grapefruit | FR | |
| herbal | FR | |
| kumquat | FR | |
| lemon | FR | |
| lemongrass | FR | |
| lime | FR | |
| linden flower | FR | |
| litsea cubeba | FL/FR | |
| mandarin | FR | |
| mango | FR | |
| melissa oil replacer | FR | |
| mock orange | FR | |
| necterine | FL | |
| orange | FR | |
| orange bitter orange peel | FL/FR | |
| passion fruit | FR | |
| rhubarb | FR | |
| rose tea rose | FR | |
| tangerine | FR | |
| tea | FL | |
| tea black tea | FL | |
| tea china | ||
| tea green tea | FR | |
| tea herbal tea | FL | |
| tea lemon tea | FL | |
| verbena | FR | |
| yerba mate | FL/FR |
Occurrence (nature, food, other): note
| not found in nature |
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 |