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-2,6-dien-8-one

Supplier Sponsors

CAS Number: 80957-74-0
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
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Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:2060 (+/-)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-2,6-dien-8-one
FEMA Number:4662 (+/-)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-2,6-dien-8-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):80722-28-7 ; (+/-)-2,6,10,10-TETRAMETHYL-1-OXASPIRO[4,5]DECA-2,6-DIEN-8-ONE
 
Physical Properties:
Appearance:white crystalline powder (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 105.00 to 106.00 °C. @ 760.00 mm Hg
Boiling Point: 99.00 to 100.00 °C. @ 4.00 mm Hg
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 258.00 °F. TCC ( 125.70 °C. ) (est)
logP (o/w): 2.634 (est)
Soluble in:
 alcohol
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:woody floral
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
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): 2.0000020.00000
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: 2.0000020.00000
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: --
 
Safety References:
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
 
References:
Leffingwell:Chirality or Article
 (±)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
Pubchem (cid):6428985
Pubchem (sid):10545002
Pherobase:View
 
Other Information:
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:(+/-)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]deca-2,6-dien-8-one
 
Potential Blenders and core components note
For Odor
alcoholic
fusel oil
FL/FR
aldehydic
decanal (aldehyde C-10)
FL/FR
balsamic
cinnamyl butyrate
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
3-
phenyl propyl alcohol
FL/FR
terpinyl cinnamate
FL/FR
caramellic
diethyl malate
FL/FR
citrus
bergamot oil
FL/FR
bergamot oil bergaptene reduced italy
FL/FR
bergamot oil turkey
FL/FR
beta-
bisabolol
FL/FR
2-
dodecanone
FL/FR
2-
ethyl-1-hexanol
FL/FR
lemon oil terpenes
FL/FR
lemongrass oil terpenes
FL/FR
(±)-2,4,8-
trimethyl-7-nonen-2-ol
FL/FR
10-
undecen-1-ol
FL/FR
coconut
propyl octanoate
FL/FR
earthy
amyl octanoate
FL/FR
3-
octanol
FL/FR
ethereal
iso
amyl acetoacetate
FL/FR
iso
butyl alcohol
FL/FR
ethyl formate
FL/FR
methyl acetate
FL/FR
fatty
butyl undecylenate
FL/FR
fermented
iso
amyl alcohol
FL/FR
methyl decanoate
FL/FR
3-
methyl-1-pentanol
FL/FR
2-
pentanol
FL/FR
valeraldehyde
FL/FR
floral
cilantro herb oil egypt
FL/FR
citronellyl acetate
FL/FR
dihydrolinalool
FL/FR
dimethyl anthranilate
FL/FR
geranyl acetate
FL/FR
linalool
FL/FR
methyl citronellate
FL/FR
(E)-
nerolidol
FL/FR
nerolidol
FL/FR
phenethyl butyrate
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
fruity
acetoin acetate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isovalerate
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl sebacate
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
grape butyrate
FL/FR
heptyl isobutyrate
FL/FR
methyl nonanoate
FL/FR
2-
pentanone
FL/FR
propyl heptanoate
FL/FR
propyl hexanoate
FL/FR
sorbyl butyrate
FL/FR
green
iso
amyl formate
FL/FR
benzaldehyde dimethyl acetal
FL/FR
green
cognac oil
FL/FR
heptyl acetate
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
hexyl isobutyrate
FL/FR
hexyl phenyl acetate
FL/FR
phenethyl tiglate
FL/FR
herbal
acetyl tributyl citrate
FL/FR
iso
amyl tiglate
FL/FR
clary sage concrete
FL/FR
white
cognac oil
FL/FR
dihydroterpinyl acetate
FL/FR
phenethyl senecioate
FL/FR
thymyl methyl ether
FL/FR
honey
methyl hydrocinnamate
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
spicy
cinnamyl isovalerate
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl laurate
FL/FR
ethyl decanoate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
phenethyl octanoate
FL/FR
winey
butyl angelate
FL/FR
2-
hexanol
FL/FR
woody
(E)-beta-
farnesene
FL/FR
For Flavor
No flavor group found for these
acetyl tributyl citrate
FL/FR
amyl octanoate
FL/FR
iso
amyl tiglate
FL/FR
2-
amyl-5 or 6-keto-1,4-dioxane
FL
butyl angelate
FL/FR
2-
butyl furan
FL
diethyl laevo-tartrate
FL/FR
diethyl malate
FL/FR
dihydroterpinyl acetate
FL/FR
ethyl aconitate
FL
ethyl cyclohexyl carboxylate
FL
(E)-beta-
farnesene
FL/FR
farnesyl acetone
FL/FR
fleabane oil (erigeron canadensis)
FL
geranyl acetoacetate
FL/FR
2-
hexanol
FL/FR
methyl hydrocinnamate
FL/FR
2-
methyl-1-butanol
FL/FR
phenethyl senecioate
FL/FR
propyl octanoate
FL/FR
sorbyl propionate
FL
10-
undecen-1-ol
FL/FR
balsamic
balsamic
opoponax oil (balsamodendron kafal)
FL/FR
berry
heptyl isobutyrate
FL/FR
citrus
bergamot oil
FL/FR
bergamot oil bergaptene reduced italy
FL/FR
bergamot oil turkey
FL/FR
beta-
bisabolol
FL/FR
lemon oil terpenes
FL/FR
lemongrass oil terpenes
FL/FR
linalool
FL/FR
(±)-2,4,8-
trimethyl-7-nonen-2-ol
FL/FR
ethereal
iso
butyl alcohol
FL/FR
ethyl formate
FL/FR
methyl acetate
FL/FR
fatty
iso
amyl laurate
FL/FR
2-
dodecanone
FL/FR
2-
ethyl-1-hexanol
FL/FR
methyl decanoate
FL/FR
floral
citronellyl acetate
FL/FR
dihydrolinalool
FL/FR
pseudo
ionone
FL
methyl citronellate
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
fruity
acetoin acetate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
iso
amyl acetoacetate
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
cinnamyl isovalerate
FL/FR
diethyl sebacate
FL/FR
dimethyl anthranilate
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
fusel oil
FL/FR
hexyl phenyl acetate
FL/FR
2-
pentanone
FL/FR
phenethyl butyrate
FL/FR
phenethyl octanoate
FL/FR
propyl hexanoate
FL/FR
sorbyl butyrate
FL/FR
terpinyl cinnamate
FL/FR
fusel
iso
amyl alcohol
FL/FR
white
cognac oil
FL/FR
green
cognac oil
FL/FR
green
iso
amyl formate
FL/FR
benzaldehyde dimethyl acetal
FL/FR
iso
butyl isovalerate
FL/FR
geranyl acetate
FL/FR
grape butyrate
FL/FR
heptyl acetate
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
hexyl isobutyrate
FL/FR
nerolidol
FL/FR
(E)-
nerolidol
FL/FR
phenethyl tiglate
FL/FR
herbal
cilantro herb oil egypt
FL/FR
clary sage concrete
FL/FR
musty
3-
octanol
FL/FR
2-
pentanol
FL/FR
propionaldehyde
FL
thymyl methyl ether
FL/FR
spicy
3-
phenyl propyl alcohol
FL/FR
waxy
allyl nonanoate
FL/FR
butyl undecylenate
FL/FR
decanal (aldehyde C-10)
FL/FR
ethyl decanoate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
propyl heptanoate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
(Z)-
aconitic acid
FL
cinnamyl butyrate
FL/FR
methyl nonanoate
FL/FR
valeraldehyde
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 coffee
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 eucalyptus leucoxylon
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 honey
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 nectarine
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 orange fruit
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 tobacco
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 wine riesling wine
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Synonyms:
(±)-2,6,6,10-tetramethyl-1-oxaspiro(4.5)deca-7,9-dien-3-one
(+/-)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-2,6-dien-8-one
(±)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
3,6,10,10-tetramethyl-4-oxaspiro[4.5]deca-6,8-dien-2-one
 

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