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

fresh decan-2-one
3,9-dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decan-2-one

Sponsors

Name:2,9-dimethyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
CAS Number: 831213-72-0Picture of molecule3D/inchi
FDA UNII:GX6FA6GRM7
XlogP3-AA:3.60 (est)
Molecular Weight:226.31594000
Formula:C13 H22 O3
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Mixture of isomers: (3S, 5R, 6S,9R)-isomer: 65.6 %, (3S, 5S, 6S,9R)-isomer: 27.4 %, mixture of other diastereomers: 5.86 %. (Flavour Industry, 2006o).
Category:flavor and fragrance 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
JECFA Food Flavoring:1859 3,9-dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decan-2-one
FLAVIS Number:06.136 (Old)
DG SANTE Food Flavourings:06.136 6-isopropyl-3,9-dimethyl-1,4-dioxyspiro[4.5]decan-2-one
FEMA Number:4285 3,9-dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decan-2-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3,9-DIMETHYL-6-(1-METHYLETHYL)-1,4-DIOXASPIRO[4.5] DECAN-2-ONE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.90 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:1.01800 to 1.02100 @ 25.00 °C.
Pounds per Gallon - (est).: 8.471 to 8.496
Refractive Index:1.46060 to 1.46090 @ 20.00 °C.
Boiling Point: 323.00 to 325.00 °C. @ 760.00 mm Hg
Boiling Point: 259.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000380 mm/Hg @ 25.00 °C. (est)
Flash Point: 266.00 °F. TCC ( 130.00 °C. ) (est)
logP (o/w): 2.528 (est)
Soluble in:
 alcohol
 water, slightly
 water, 7.555 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:minty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
fresh decan-2-one
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:
oral-rat LD50 > 2000 mg/kg
(Flavour Industry, 2006c )

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for fresh decan-2-one usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 0.075 (μg/person/day)
Threshold of Concern:90 (μg/person/day)
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: 23
 average usual ppmaverage maximum ppm
baked goods: 10.0000030.00000
beverages(nonalcoholic): 20.0000040.00000
beverages(alcoholic): 20.0000040.00000
breakfast cereal: 10.0000020.00000
cheese: 20.0000040.00000
chewing gum: 40.0000060.00000
condiments / relishes: 5.0000010.00000
confectionery froastings: 40.0000060.00000
egg products: 2.0000010.00000
fats / oils: 2.0000020.00000
fish products: 1.0000010.00000
frozen dairy: 20.0000040.00000
fruit ices: 20.0000040.00000
gelatins / puddings: 5.0000010.00000
granulated sugar: 5.0000010.00000
gravies: 2.0000010.00000
hard candy: 40.0000060.00000
imitation dairy: 20.0000040.00000
instant coffee / tea: 20.0000030.00000
jams / jellies: 20.0000040.00000
meat products: 5.0000010.00000
milk products: 20.0000040.00000
nut products: 20.0000040.00000
other grains: 10.0000020.00000
poultry: 10.0000020.00000
processed fruits: 20.0000040.00000
processed vegetables: 5.0000010.00000
reconstituted vegetables: 5.0000010.00000
seasonings / flavors: 2.000005.00000
snack foods: 5.0000010.00000
soft candy: 40.0000060.00000
soups: 5.0000010.00000
sugar substitutes: 5.0000010.00000
sweet sauces: 20.0000040.00000
 
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): 0.000100.00050
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.000100.00010
Edible ices, including sherbet and sorbet (03.0): 0.000100.00080
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.001000.00500
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.000100.00050
Bakery wares (07.0): 0.000100.00050
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): 0.000100.00050
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.000100.00050
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.000100.00080
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): 0.000100.00050
 
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):

Flavouring Group Evaluation 9, Revision 1: (FGE.09 Rev1)[1] - Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical groups 8 and 30, and an ester of a phenol carboxylic acid from chemical group 25 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 9, Revision 2 (FGE.09Rev2): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 9, Revision 3 (FGE.09Rev3): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 9, Revision 4 (FGE.09Rev4): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 9, Revision 5 (FGE.09Rev5): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 9, Revision 6 (FGE.09Rev6): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11264633
National Institute of Allergy and Infectious Diseases:Data
2,9-dimethyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
Chemidplus:0831213720
 
References:
Leffingwell:Chirality or Article
 2,9-dimethyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11264633
Pubchem (sid):42344130
 
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:FDB009320
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3,9-dimethyl-6-(1-methyl ethyl)-1,4-dioxaspiro(4.5)decan-2-one
3,9-dimethyl-6-(1-methylethyl)-1,4-dioxaspiro(4.5)decan-2-one
3,9-dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decan-2-one
1,4-dioxaspiro[4.5]decan-2-one, 3,9-dimethyl-6-(1-methylethyl)-
 freshone
6-isopropyl-3,9-dimethyl-1,4-dioxyspiro(4.5)decan-2-one
6-isopropyl-3,9-dimethyl-1,4-dioxyspiro[4.5]decan-2-one
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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