| CAS Number: | 18114-49-3 |  3D/inchi
|
| FDA UNII: | 4C7CJ7N1DQ |
| XlogP3-AA: | -0.60 (est) |
| Molecular Weight: | 258.27066000 |
| Formula: | C12 H18 O6 |
| NMR Predictor: | Predict (works with chrome, Edge 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:
Cosmetic Information:
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 |
| Click here to view publication 23 |
| | average usual ppm | average maximum ppm |
| baked goods: | 20.00000 | 50.00000 |
| beverages(nonalcoholic): | 5.00000 | 10.00000 |
| beverages(alcoholic): | 10.00000 | 20.00000 |
| breakfast cereal: | 20.00000 | 50.00000 |
| cheese: | 20.00000 | 100.00000 |
| chewing gum: | 50.00000 | 200.00000 |
| condiments / relishes: | - | - |
| confectionery froastings: | 10.00000 | 50.00000 |
| egg products: | - | - |
| fats / oils: | 10.00000 | 50.00000 |
| fish products: | - | - |
| frozen dairy: | 5.00000 | 20.00000 |
| fruit ices: | 5.00000 | 10.00000 |
| gelatins / puddings: | 10.00000 | 30.00000 |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | 10.00000 | 50.00000 |
| imitation dairy: | 10.00000 | 50.00000 |
| instant coffee / tea: | 10.00000 | 20.00000 |
| jams / jellies: | 10.00000 | 50.00000 |
| meat products: | - | - |
| milk products: | 5.00000 | 20.00000 |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | 20.00000 | 100.00000 |
| snack foods: | - | - |
| soft candy: | 10.00000 | 50.00000 |
| soups: | 10.00000 | 50.00000 |
| sugar substitutes: | - | - |
| sweet sauces: | 10.00000 | 50.00000 |
| |
| 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/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0): | 20.00000 | 100.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 10.00000 | 50.00000 |
| Edible ices, including sherbet and sorbet (03.0): | 5.00000 | 10.00000 |
| Processed fruit (04.1): | - | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 10.00000 | 50.00000 |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 20.00000 | 50.00000 |
| Bakery wares (07.0): | 20.00000 | 50.00000 |
| 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): | 20.00000 | 100.00000 |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 10.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 20.00000 |
| Ready-to-eat savouries (15.0): | 10.00000 | 50.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 10.00000 | 50.00000 |
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 |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| 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:
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 |
2- octen-1-ol
FL/FR |
(E)-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 |
2- octen-1-ol
FL/FR |
(E)-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:
Occurrence (nature, food, other): note
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 |
Articles:
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