8,9-dehydrotheaspirone
2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
 
Notes:
Flavour and perfumery ingredient [CCD]
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CAS Number: 80722-28-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 279-534-3
FDA UNII: 6AQT87PG7Q
XlogP3-AA: 2.20 (est)
Molecular Weight: 206.28486000
Formula: C13 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Perfumer and Flavorist: Search
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Pubchem Patents: Search
PubMed: Search
NCBI: Search
FEMA Number: 4518 8,9-dehydrotheaspirone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):85248-56-2 ; 8,9-DEHYDROTHEASPIRONE
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 302.00 to  303.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 258.00 °F. TCC ( 125.56 °C. )
logP (o/w): 2.634 (est)
Soluble in:
 alcohol
 water, 106 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Description:
woody floral
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
2,6,10,10-Tetramethyl-1-oxaspiro(4.5)dec-6-en-8-one
Parchem
8,9-dehydrotheaspirone
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
 
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
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Safety in Use Information:
Category: flavoring agents
Recommendation for 8,9-dehydrotheaspirone usage levels up to:
 not for fragrance use.
 
Structure Class: III
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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 5.0000025.00000
beverages(alcoholic): 10.0000050.00000
breakfast cereal: --
cheese: --
chewing gum: 50.00000250.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 20.00000100.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 20.00000100.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): --
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): --
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): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
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): --
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Safety References:
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6428985
National Institute of Allergy and Infectious Diseases: Data
 2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
Chemidplus: 0080722287
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References:
Leffingwell: Chirality or Article
 2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6428985
Pubchem (sid): 135248898
Pherobase: View
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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): Search
FooDB: FDB021769
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
FAO: (-)-8,9-Dehydrotheaspirone
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-beta-methyl iononeFL/FR
balsamic
 brachyleana hutchinsii wood oilFR
citrus
 bergamot oil bergaptene reduced italyFL/FR
beta-bisabololFL/FR
2-heptanolFL/FR
 myrcenyl acetateFL/FR
earthy
(Z)-linalool oxide (furanoid)FL/FR
floral
 amyl salicylateFL/FR
isoamyl salicylateFL/FR
4-tert-butyl cyclohexane carboxaldehydeFR
 butyl tiglateFR
 coriander seed oilFL/FR
2',4'-dimethyl acetophenoneFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 herbal pyranFR
 ho wood oilFR
beta-ionolFL/FR
alpha-iononeFL/FR
beta-iononeFL/FR
(E)-beta-iononeFL/FR
alpha-ironeFL/FR
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 linaloe wood oil mexicoFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
beta-isomethyl iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
(Z)-beta-ocimeneFL/FR
 orris rhizome absolute (iris pallida)FL/FR
 petitgrain cedrat oilFL/FR
isophytolFL/FR
 prenyl salicylateFL/FR
 styralyl formateFL/FR
 terpinyl isobutyrateFL/FR
 vetiver pentanoneFR
fruity
isobutyl furyl propionateFL/FR
 tropical iononeFL/FR
green
isobutyl benzyl carbinolFL/FR
isogreen methanoindeneFR
 heptyl formateFL/FR
(E)-2-hexen-1-yl salicylateFR
herbal
 carrot seed oil (daucus carota ssp. gummifer hook. fil.) spainFR
 chamomile isobutyrateFR
 chrysanthemum ketoneFR
 coriander seed absoluteFL/FR
 freesia heptanolFL/FR
abrialis lavandin oilFL/FR
 lavender absolute bulgariaFL/FR
 methyl cyclogeranate (Firmenich)FR
 methyl ortho-anisateFL/FR
 myrtle oilFL/FR
orris
beta-methyl iononeFL/FR
powdery
(E)-alpha-methyl ionone (50-60%)FL/FR
spicy
 carnation absoluteFR
 spicy carbonateFR
woody
2-decalinyl acetateFR
 dihydro-beta-ionolFL/FR
3',4'-dimethoxyacetophenone 
 patchouli ethanoneFR
 sandal octanolFR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
 dihydro-beta-ionolFL/FR
2',4'-dimethyl acetophenoneFL/FR
 linaloe wood oil mexicoFL/FR
(Z)-linalool oxide (furanoid)FL/FR
(E)-beta-methyl iononeFL/FR
beta-isomethyl iononeFL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
 methyl ortho-anisateFL/FR
 styralyl formateFL/FR
 terpinyl isobutyrateFL/FR
isobutyl furyl propionateFL/FR
amber
isobutyl benzyl carbinolFL/FR
aromatic
 amyl salicylateFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
beta-bisabololFL/FR
 freesia heptanolFL/FR
laevo-linaloolFL/FR
 myrcenyl acetateFL/FR
 petitgrain cedrat oilFL/FR
fatty
 heptyl formateFL/FR
floral
beta-ionolFL/FR
alpha-iononeFL/FR
beta-methyl iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
 tropical iononeFL/FR
fruity
2-heptanolFL/FR
green
isoamyl salicylateFL/FR
 linalool oxideFL/FR
(Z)-beta-ocimeneFL/FR
herbal
 coriander seed absoluteFL/FR
 coriander seed oilFL/FR
abrialis lavandin oilFL/FR
 lavender absolute bulgariaFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 prenyl salicylateFL/FR
oily
isophytolFL/FR
spicy
 myrtle oilFL/FR
sweet
 orris rhizome absolute (iris pallida)FL/FR
woody
3',4'-dimethoxyacetophenone 
(E)-beta-iononeFL/FR
beta-iononeFL/FR
alpha-ironeFL/FR
(Z)-jasmoneFL/FR
 
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Potential Uses:
 tobaccoFR
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Occurrence (nature, food, other): note
 coffee roasted coffee
Search  PMC Picture
 nectarine
Search  PMC Picture
 peach fruit
Search Trop  Picture
 tobacco
Search Trop  Picture
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Synonyms:
2,6,10,10-tetramethyl-1-oxaspiro(4.5)dec-6-en-8-one
2,6,10,10-tetramethyl-1-oxaspiro(4.5)deca-7,9-dien-3-one
2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
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