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

diacetyl trimer
1,1-(tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone

Supplier Sponsors

Name:1-(2-acetyl-6a-hydroxy-2,3a,5-trimethyl-6H-furo[4,5-d][1,3]dioxol-5-yl)ethanone
CAS Number: 18114-49-3Picture of molecule3D/inchi
XlogP3-AA:-0.60 (est)
Molecular Weight:258.27066000
Formula:C12 H18 O6
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Stereoisomeric composition not specified by CASrn in Register. Register name to be changed to: 1,1'-(tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bisethanone. No longer supported by Industry, (DG SANCO,2012).
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
JECFA Food Flavoring:2039 1,1-(tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
FEMA Number:4303 1,1-(tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):18114-49-3 ; 1,1'-(TETRAHYDRO-6A-HYDROXY-2,3A,5-TRIMETHYLFURO[2,3-D]-1,3-DIOXOLE-2,5-DIYL)BIS-ETHANONE
 
Physical Properties:
Appearance:pale yellow solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 90.00 to 91.00 °C. @ 760.00 mm Hg
Boiling Point: 370.00 to 371.00 °C. @ 760.00 mm Hg
Flash Point: 279.00 °F. TCC ( 137.22 °C. )
logP (o/w): 4.907 (est)
Soluble in:
 alcohol
 water, 1957 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: buttery
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
buttery roasted
Odor Description:at 0.10 % in propylene glycol. butter roasted
Flavor Type: fatty
fatty oily creamy buttery sweet vanilla caramellic toffee fresh cheesy
Taste Description: at 1.00 ppm in water. Fatty oily cream butter sweet vanillin caramel toffee fresh cheese quark
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Ethanone,1-(2-acetyltetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxol-5-yl)-
BOC Sciences
For experimental / research use only.
Ethanone,1-(2-acetyltetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxol-5-yl)- 95%
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 diacetyl trimer usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 5400 (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: 23
 average usual ppmaverage maximum ppm
baked goods: 20.0000050.00000
beverages(nonalcoholic): 5.0000010.00000
beverages(alcoholic): 10.0000020.00000
breakfast cereal: 20.0000050.00000
cheese: 20.00000100.00000
chewing gum: 50.00000200.00000
condiments / relishes: --
confectionery froastings: 10.0000050.00000
egg products: --
fats / oils: 10.0000050.00000
fish products: --
frozen dairy: 5.0000020.00000
fruit ices: 5.0000010.00000
gelatins / puddings: 10.0000030.00000
granulated sugar: --
gravies: --
hard candy: 10.0000050.00000
imitation dairy: 10.0000050.00000
instant coffee / tea: 10.0000020.00000
jams / jellies: 10.0000050.00000
meat products: --
milk products: 5.0000020.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 20.00000100.00000
snack foods: --
soft candy: 10.0000050.00000
soups: 10.0000050.00000
sugar substitutes: --
sweet sauces: 10.0000050.00000
 
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): 20.00000100.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 10.0000050.00000
Edible ices, including sherbet and sorbet (03.0): 5.0000010.00000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 20.0000050.00000
Bakery wares (07.0): 20.0000050.00000
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): 20.00000100.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000020.00000
Ready-to-eat savouries (15.0): 10.0000050.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 10.0000050.00000
 
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 11, Revision 2 (FGE.11Rev2): Aliphatic dialcohols, diketones, and hydroxyketones from chemical groups 8 and 10
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 11, Revision 3 (FGE.11Rev3): Aliphatic dialcohols, diketones, and hydroxyketones from chemical groups 8 and 10
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :193527
National Institute of Allergy and Infectious Diseases:Data
1-(2-acetyl-6a-hydroxy-2,3a,5-trimethyl-6H-furo[4,5-d][1,3]dioxol-5-yl)ethanone
Chemidplus:0018114493
 
References:
 1-(2-acetyl-6a-hydroxy-2,3a,5-trimethyl-6H-furo[4,5-d][1,3]dioxol-5-yl)ethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):193527
Pubchem (sid):135169546
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB32527
FooDB:FDB010379
ChemSpider:View
FAO:1,1-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
 
Potential Blenders and core components note
For Odor
acidic
iso
butyric acid
FL/FR
aldehydic
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
balsamic
cinnamyl benzoate
FL/FR
bready
coffee furanone
FL/FR
buttery
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
butyl octanoate
FL/FR
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
caramellic
alpha,alpha-
dimethyl anisyl acetone
FL/FR
cheesy
butyric acid
FL/FR
2-
methyl hexanoic acid
FL/FR
2-
methyl valeric acid
FL/FR
chocolate
2,5-
dimethyl pyrazine
FL/FR
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
coffee
1-
hydroxy-2-butanone
FL/FR
coumarinic
epsilon-
decalactone
FL/FR
creamy
waxy lactone
FL/FR
earthy
methyl undecylenate
FL/FR
fatty
butter esters
FL/FR
butyl undecylenate
FL/FR
(E,E)-2,4-
decadien-1-ol
FL/FR
(E)-2-
octenal
FL/FR
(Z)-
oleic acid
FL/FR
fermented
methyl decanoate
FL/FR
floral
benzyl lactate
FL/FR
jasmin pyranone
FL/FR
linalyl butyrate
FL/FR
fruity
acetoin acetate
FL/FR
gamma-
decalactone
FL/FR
gamma-
dodecalactone
FL/FR
ethyl lactate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
(E)-2-
nonen-1-yl acetate
FL/FR
prenyl isobutyrate
FL/FR
green
iso
butyl benzyl carbinol
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl tiglate
FL/FR
(E)-2-
octen-1-ol
FL/FR
2-
octen-1-ol
FL/FR
mushroom
1-
octen-3-yl butyrate
FL/FR
nutty
2,3-
dimethyl pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
soapy
ethyl undecanoate
FL/FR
tropical
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
vanilla
vanillyl isobutyrate
FL/FR
waxy
hexadecanol
FL/FR
2-
methyl heptanoic acid
FL/FR
2,4-
nonadien-1-ol
FL/FR
delta-
tetradecalactone
FL/FR
For Flavor
No flavor group found for these
benzyl lactate
FL/FR
butyl octanoate
FL/FR
cinnamyl benzoate
FL/FR
6-
decenoic acid
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
3-(
methyl thio) hexanal
FL
prenyl isobutyrate
FL/FR
sodium 4-methyl-2-oxovalerate
FL
acidic
acidic
iso
butyric acid
FL/FR
alliaceous
3-
tetrahydrothiophenone
FL
amber
iso
butyl benzyl carbinol
FL/FR
avocado
guacamole flavor
FL
brown
1-
hydroxy-2-butanone
FL/FR
buttery
apple butter flavor
FL
butter cream frosting flavor
FL
butter crème flavor
FL
butter flavor
FL
creamy
butter flavor
FL
butter vanilla nut flavor
FL
butyroin
FL
diacetyl
FL
ghee flavor
FL
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
caramellic
butterscotch cream flavor
FL
3-
methyl butyl 2-furyl butyrate
FL
chocolate
chocolate butter cream flavor
FL
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
creamy
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl ethyl carbinol
FL
acetyl isobutyryl
FL/FR
butter esters
FL/FR
butter fat enzyme modified with added butyric acid
FL
butyl butyryl lactate
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
jasmin pyranone
FL/FR
triacetin
FL
waxy lactone
FL/FR
dairy
buttermilk flavor
FL
fatty
(E,E)-2,4-
decadien-1-ol
FL/FR
2,4-
decadienal
FL
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
2,4-
nonadien-1-ol
FL/FR
2,4-
octadien-1-ol
FL
(E)-2-
octen-1-ol
FL/FR
2-
octen-1-ol
FL/FR
(E)-2-
octenal
FL/FR
(Z)-
oleic acid
FL/FR
(E,E)-2,4-
undecadienal
FL
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
linalyl butyrate
FL/FR
fruity
acetoin acetate
FL/FR
acetyl isovaleryl
FL
gamma-
decalactone
FL/FR
gamma-
dodecalactone
FL/FR
ethyl lactate
FL/FR
green
avocado flavor
FL
(Z)-4-
heptenal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl tiglate
FL/FR
methyl 2-undecynoate
FL
olive flavor
FL
mushroom
1-
octen-3-yl butyrate
FL/FR
musty
2,5-
dimethyl pyrazine
FL/FR
nutty
almond butter flavor
FL
brazil nut flavor
FL
coffee furanone
FL/FR
2,3-
dimethyl pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
oily
2-
methyl hexanoic acid
FL/FR
sour
butyric acid
FL/FR
spicy
cinnamon butter flavor
FL
sweet
vanilla butter nut flavor
FL
toasted
acetyl propionyl
FL/FR
vanilla
vanillyl isobutyrate
FL/FR
waxy
butyl undecylenate
FL/FR
epsilon-
decalactone
FL/FR
ethyl undecanoate
FL/FR
furfuryl octanoate
FL
hexadecanol
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl undecylenate
FL/FR
(E)-2-
nonen-1-yl acetate
FL/FR
delta-
tetradecalactone
FL/FR
 
Potential Uses:
FLbutter
FLbutter rum
FLbutterscotch
FLmilk buttermilk
FLrum butter
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1-(2-acetyl-6a-hydroxy-2,3a,5-trimethyl-6H-furo[4,5-d][1,3]dioxol-5-yl)ethanone
2,3-butane dione trimer
2,3-butanedione trimer
2,5-diacetyl-3a,5,6,6a-tetrahydro-6a-hydroxy-2,3a,5-trimethyl furo(2,3-d)-1,3-dioxole
2,3-diacetyl-3a,5,6,6a-tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole
 ethanone, 1,1'-(tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro(2,3-d)-1,3-dioxole-2,5-diyl)bis-
 ethanone,1-(2-acetyltetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxol-5-yl)-
1,1'-(6a-hydroxy-2,3a,5-trimethyltetrahydrofuro[2,3-d][1,3]dioxole-2,5-diyl)diethanone
1,1’-(tetrahydro-6a-hydroxy-2,3a,5-trimethyl furo(2,3-d)-1,3-dioxole-2,5-diyl) bisethanone
1,1’-(tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro(2,3-d)-1,3-dioxole-2,5-diyl)bisethanone
1,1’-(tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
 
 
Notes:
prepared from diacetyl. Used as a food additive [EAFUS]
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