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    General Material Information
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caramel pentadione

General Material Information

Preferred name caramel pentadione
Trivial Name 3,4-dimethylcyclopentane-1,2-dione
Short Description 3,4-dimethyl-1,2-cyclopentadione
Formula C7 H10 O2
CAS Number 13494-06-9
CAS Number 13494-06-9 (RR)
CAS Number 13494-06-9 (RS)
CAS Number 13494-06-9 (SR)
CAS Number 13494-06-9 (SS)
Deleted CAS Number 825650-60-0
FEMA Number 3268
Flavis Number 7.075
ECHA Number 236-810-8
FDA UNII 50AIF51OCI
Nikkaji Number J241.145H
MDL MFCD00143063
COE Number 2234
xLogP3-AA 0.60 (est)
NMR Predictor External link
JECFA Food Flavoring 420 3,4-dimethyl-1,2-cyclo-pentanedione
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 13494-06-9 ; 3,4-DIMETHYL-1,2-CYCLOPENTADIONE
Synonyms
  • 1,2-cyclopentanedione, 3,4-dimethyl-
  • 3,4-dimethyl cyclopentane-1,2-dione
  • 3,4-dimethyl-1,2-cyclo-pentanedione
  • 3,4-dimethyl-1,2-cyclopentadione
  • 3,4-dimethyl-1,2-cyclopentadione natural 1% in ethyl alcohol
  • 3,4-dimethyl-1,2-cyclopentadione natural 5% in ethyl alcohol
  • 3,4-dimethyl-1,2-cyclopentane dione
  • 3,4-dimethyl-1,2-cyclopentanedione
  • 3,4-dimethyl-2-hydroxy-2-cyclopentenyl-1-one
  • dimethyl-3 4 1 2-cyclopentadione
  • 3,4-dimethylcyclopentan-1,2-dione
  • 3,4-dimethylcyclopentane-1,2-dione
  • methyl corylone (Givaudan)

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):HMDB37026
FooDB:FDB016006
Export Tariff Code:2914.29.0090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 126.15509796143
Melting Point 68 to 72°C @ 760 mm Hg
Vapor Pressure 0.633 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 0.796 est
Solubility
alcohol Yes
water, 1.211e+005 mg/L @ 25 °C (est) Yes
water No
Stability
stable in most media Unspecified

Organoleptic Properties

Odor Type: Caramellic
sweet, maple, caramellic, sugar, fenugreek, licorice
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity 236 hour(s) at 10.00 % in dipropylene glycol
Luebke, William tgsc, (1988) At 1.00 % in dipropylene glycol. sweet maple caramel sugar fenugreek licorice
Flavor Type: Caramellic
sweet, maple, fenugreek, burnt, caramellic, sugar burnt sugar, resinous, phenolic
Luebke, William tgsc, (1988) Sweet maple fenugreek burnt caramellic burnt sugar resinous phenolic

Occurrences

Potential Uses

Applications
Odor purposes Butterscotch, Coffee, Fenugreek, Maple, Tobacco, Toffee, Tonka bean, Vanilla
Flavoring purposes Caramel, Fenugreek
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for caramel pentadione usage levels up to:
1.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 30.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (μg/capita/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: 5
Click here to view publication 5
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -1.90000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: -3.50000
frozen dairy: -0.30000
fruit ices: -0.30000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -4.00000
imitation dairy: --
instant coffee / tea: --
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

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 213: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 213, Revision 2 (FGE.213Rev2): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

Safety and efficacy of secondary aliphatic saturated or unsaturated alcohols, ketones, ketals and esters with a second secondary or tertiary oxygenated functional group belonging to chemical group 10 when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):13494-06-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61633
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3,4-dimethylcyclopentane-1,2-dione
Chemidplus:0013494069
(3R,4R)-3,4-dimethylcyclopentane-1,2-dione
(3R,4S)-3,4-dimethylcyclopentane-1,2-dione
(3S,4R)-3,4-dimethylcyclopentane-1,2-dione
(3S,4S)-3,4-dimethylcyclopentane-1,2-dione