EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

8,9-dehydrotheaspirone
2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one

Sponsors

Name:2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
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
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
FEMA Number:4518 8,9-dehydrotheaspirone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 8,9-DEHYDROTHEASPIRONE
 
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 mm/Hg @ 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
 
Organoleptic Properties:
Odor Description:woody floral
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
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 Chemical Sources Association
 
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
 
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
 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): --
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): --
 
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
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
 
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
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):Search
FooDB:FDB021769
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
FAO:(-)-8,9-Dehydrotheaspirone
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-beta-
methyl ionone
FL/FR
balsamic
balsamic
brachyleana hutchinsii wood oil
FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
beta-
bisabolol
FL/FR
2-
heptanol
FL/FR
myrcenyl acetate
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
floral
amyl salicylate
FL/FR
iso
amyl salicylate
FL/FR
4-tert-
butyl cyclohexane carboxaldehyde
FR
butyl tiglate
FR
coriander seed oil
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
ethyl linalool
FR
ethyl linalyl acetal
FR
herbal pyran
FR
ho wood oil
FR
beta-
ionol
FL/FR
alpha-
ionone
FL/FR
beta-
ionone
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
irone
FL/FR
(Z)-
jasmone
FL/FR
karo karounde absolute
FR
abrialis
lavandin oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
linaloe wood oil mexico
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
beta-iso
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
(Z)-beta-
ocimene
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
petitgrain cedrat oil
FL/FR
iso
phytol
FL/FR
prenyl salicylate
FL/FR
styralyl formate
FL/FR
terpinyl isobutyrate
FL/FR
vetiver pentanone
FR
fruity
iso
butyl furyl propionate
FL/FR
tropical ionone
FL/FR
green
iso
butyl benzyl carbinol
FL/FR
iso
green methanoindene
FR
heptyl formate
FL/FR
(E)-2-
hexen-1-yl salicylate
FR
herbal
carrot seed oil (daucus carota ssp. gummifer hook. fil.) spain
FR
chamomile isobutyrate
FR
chrysanthemum ketone
FR
coriander seed absolute
FL/FR
freesia heptanol
FL/FR
lavender absolute bulgaria
FL/FR
methyl cyclogeranate (Firmenich)
FR
methyl ortho-anisate
FL/FR
myrtle oil
FL/FR
orris
beta-
methyl ionone
FL/FR
powdery
(E)-alpha-
methyl ionone (50-60%)
FL/FR
spicy
carnation absolute
FR
spicy carbonate
FR
woody
2-
decalinyl acetate
FR
dihydro-beta-ionol
FL/FR
patchouli ethanone
FR
sandal octanol
FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
dihydro-beta-ionol
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
linaloe wood oil mexico
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
(E)-beta-
methyl ionone
FL/FR
beta-iso
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
methyl ortho-anisate
FL/FR
styralyl formate
FL/FR
terpinyl isobutyrate
FL/FR
iso
butyl furyl propionate
FL/FR
amber
amber
iso
butyl benzyl carbinol
FL/FR
aromatic
amyl salicylate
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
beta-
bisabolol
FL/FR
freesia heptanol
FL/FR
laevo-
linalool
FL/FR
myrcenyl acetate
FL/FR
petitgrain cedrat oil
FL/FR
fatty
heptyl formate
FL/FR
floral
beta-
ionol
FL/FR
alpha-
ionone
FL/FR
beta-
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
tropical ionone
FL/FR
fruity
2-
heptanol
FL/FR
green
iso
amyl salicylate
FL/FR
linalool oxide
FL/FR
(Z)-beta-
ocimene
FL/FR
herbal
coriander seed absolute
FL/FR
coriander seed oil
FL/FR
abrialis
lavandin oil
FL/FR
lavender absolute bulgaria
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
prenyl salicylate
FL/FR
oily
iso
phytol
FL/FR
spicy
myrtle oil
FL/FR
sweet
orris rhizome absolute (iris pallida)
FL/FR
woody
(E)-beta-
ionone
FL/FR
beta-
ionone
FL/FR
alpha-
irone
FL/FR
(Z)-
jasmone
FL/FR
 
Potential Uses:
FRtobacco
 
Occurrence (nature, food, other):note
 coffee roasted coffee
Search PMC Picture
 nectarine
Search PMC Picture
 peach fruit
Search Trop Picture
 tobacco
Search Trop Picture
 
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
 
 
Notes:
Flavour and perfumery ingredient [CCD]
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