diacetyl trimer
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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      Product(s):
      18114-49-3 Ethanone,1-(2-acetyltetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxol-5-yl)- 95%
       
  • CSA
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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
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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
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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).
 
 
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Cosmetic Information:
None found
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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 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 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
Click here to view publication 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
Chewing gum (05.0): --
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
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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...
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
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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
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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): 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
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Potential Blenders and core components note
 
For Odor
acidic
acidic
isobutyric acidFL/FR
aldehydic
10-undecenal (aldehyde C-11 undecylenic)FL/FR
balsamic
 cinnamyl benzoateFL/FR
bready
 coffee furanoneFL/FR
buttery
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl propionylFL/FR
 butyl butyryl lactateFL/FR
 butyl octanoateFL/FR
2,3-heptane dioneFL/FR
3,4-hexane dioneFL/FR
caramellic
alpha,alpha-dimethyl anisyl acetoneFL/FR
cheesy
 butyric acidFL/FR
2-methyl hexanoic acidFL/FR
2-methyl valeric acidFL/FR
chocolate
2,5-dimethyl pyrazineFL/FR
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
coffee
1-hydroxy-2-butanoneFL/FR
coumarinic
epsilon-decalactoneFL/FR
creamy
 waxy lactoneFL/FR
earthy
 methyl undecylenateFL/FR
fatty
 butter estersFL/FR
 butyl undecylenateFL/FR
(E,E)-2,4-decadien-1-olFL/FR
(E)-2-octenalFL/FR
(Z)-oleic acidFL/FR
fermented
 methyl decanoateFL/FR
floral
 benzyl lactateFL/FR
 jasmin pyranoneFL/FR
 linalyl butyrateFL/FR
fruity
 acetoin acetateFL/FR
gamma-decalactoneFL/FR
gamma-dodecalactoneFL/FR
 ethyl lactateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
(E)-2-nonen-1-yl acetateFL/FR
 prenyl isobutyrateFL/FR
green
isobutyl benzyl carbinolFL/FR
(Z)-4-heptenalFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 hexyl tiglateFL/FR
(E)-2-octen-1-olFL/FR
2-octen-1-olFL/FR
mushroom
1-octen-3-yl butyrateFL/FR
nutty
2,3-dimethyl pyrazineFL/FR
2-ethyl pyrazineFL/FR
soapy
 ethyl undecanoateFL/FR
tropical
delta-dodecalactoneFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
vanilla
 vanillyl isobutyrateFL/FR
 hexadecanolFL/FR
2-methyl heptanoic acidFL/FR
2,4-nonadien-1-olFL/FR
delta-tetradecalactoneFL/FR
 
For Flavor
 
No flavor group found for these
 benzyl lactateFL/FR
 butyl octanoateFL/FR
 cinnamyl benzoateFL/FR
6-decenoic acidFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
3-(methyl thio) hexanalFL
 prenyl isobutyrateFL/FR
 sodium 4-methyl-2-oxovalerateFL
acidic
isobutyric acidFL/FR
alliaceous
3-tetrahydrothiophenoneFL
amber
isobutyl benzyl carbinolFL/FR
avocado
 guacamole flavorFL
brown
1-hydroxy-2-butanoneFL/FR
buttery
 apple butter flavorFL
 butter cream frosting flavorFL
 butter crème flavorFL
 butter flavorFL
creamy butter flavorFL
 butter vanilla nut flavorFL
 butyroinFL
 diacetylFL
 ghee flavorFL
2,3-heptane dioneFL/FR
3,4-hexane dioneFL/FR
2-methyl valeric acidFL/FR
(E)-2-pentenoic acidFL
caramellic
 butterscotch cream flavorFL
3-methyl butyl 2-furyl butyrateFL
chocolate
 chocolate butter cream flavorFL
coconut
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
creamy
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl ethyl carbinolFL
 acetyl isobutyrylFL/FR
 butter estersFL/FR
 butter fat enzyme modified with added butyric acidFL
 butyl butyryl lactateFL/FR
5,5-dibutyl dihydrofuran-2(3H)-oneFL
delta-dodecalactoneFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 jasmin pyranoneFL/FR
 triacetinFL
 waxy lactoneFL/FR
dairy
 buttermilk flavorFL
fatty
(E,E)-2,4-decadien-1-olFL/FR
2,4-decadienalFL
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
2,4-nonadien-1-olFL/FR
2,4-octadien-1-olFL
2-octen-1-olFL/FR
(E)-2-octen-1-olFL/FR
(E)-2-octenalFL/FR
(Z)-oleic acidFL/FR
(E,E)-2,4-undecadienalFL
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
 linalyl butyrateFL/FR
fruity
 acetoin acetateFL/FR
 acetyl isovalerylFL
gamma-decalactoneFL/FR
gamma-dodecalactoneFL/FR
 ethyl lactateFL/FR
green
 avocado flavorFL
(Z)-4-heptenalFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 hexyl tiglateFL/FR
 methyl 2-undecynoateFL
 olive flavorFL
mushroom
1-octen-3-yl butyrateFL/FR
musty
2,5-dimethyl pyrazineFL/FR
nutty
 almond butter flavorFL
 brazil nut flavorFL
 coffee furanoneFL/FR
2,3-dimethyl pyrazineFL/FR
2-ethyl pyrazineFL/FR
oily
2-methyl hexanoic acidFL/FR
sour
 butyric acidFL/FR
spicy
 cinnamon butter flavorFL
sweet
 vanilla butter nut flavorFL
toasted
 acetyl propionylFL/FR
vanilla
 vanillyl isobutyrateFL/FR
waxy
 butyl undecylenateFL/FR
epsilon-decalactoneFL/FR
 ethyl undecanoateFL/FR
 furfuryl octanoateFL
 hexadecanolFL/FR
2-methyl heptanoic acidFL/FR
 methyl undecylenateFL/FR
(E)-2-nonen-1-yl acetateFL/FR
delta-tetradecalactoneFL/FR
 
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Potential Uses:
 butterFL
 butter rumFL
 butterscotchFL
 milk buttermilkFL
 rum butterFL
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Occurrence (nature, food, other): note
 not found in nature
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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
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