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

caramel pentadione
3,4-dimethyl-1,2-cyclopentadione

Sponsors

Flavor Demo Formulas
Name:3,4-dimethylcyclopentane-1,2-dione
CAS Number: 13494-06-9Picture of molecule3D/inchi
Other:825650-60-0
ECHA EINECS - REACH Pre-Reg:236-810-8
FDA UNII:50AIF51OCI
Nikkaji Web:J241.145H
MDL:MFCD00143063
CoE Number:2234
XlogP3-AA:0.60 (est)
Molecular Weight:126.15510000
Formula:C7 H10 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:(3R,4R)-3,4-dimethylcyclopentane-1,2-dione
CAS Number: 13494-06-9 (RR)Picture of molecule3D/inchi
XlogP3-AA:0.60 (est)
Molecular Weight:126.15510000
Formula:C7 H10 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:(3R,4S)-3,4-dimethylcyclopentane-1,2-dione
CAS Number: 13494-06-9 (RS)Picture of molecule3D/inchi
XlogP3-AA:0.60 (est)
Molecular Weight:126.15510000
Formula:C7 H10 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:(3S,4R)-3,4-dimethylcyclopentane-1,2-dione
CAS Number: 13494-06-9 (SR)Picture of molecule3D/inchi
XlogP3-AA:0.60 (est)
Molecular Weight:126.15510000
Formula:C7 H10 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:(3S,4S)-3,4-dimethylcyclopentane-1,2-dione
CAS Number: 13494-06-9 (SS)Picture of molecule3D/inchi
XlogP3-AA:0.60 (est)
Molecular Weight:126.15510000
Formula:C7 H10 O2
NMR Predictor:Predict (works with chrome or firefox)
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:420 3,4-dimethyl-1,2-cyclo-pentanedione
FLAVIS Number:07.075 (Old)
DG SANTE Food Flavourings:07.075 3,4-dimethylcyclopentane-1,2-dione
FEMA Number:3268 3,4-dimethyl-1,2-cyclopentadione
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3,4-DIMETHYL-1,2-CYCLOPENTADIONE
 
Physical Properties:
Appearance:white to amber crystals (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 68.00 to 72.00 °C. @ 760.00 mm Hg
Boiling Point: 187.37 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.633000 mm/Hg @ 25.00 °C. (est)
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 0.796 (est)
Soluble in:
 alcohol
 water, 1.211e+005 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 stable in most media
 
Organoleptic Properties:
Odor Type: caramellic
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Substantivity:236 hour(s) at 10.00 % in dipropylene glycol
sweet maple caramellic sugar fenugreek licorice
Odor Description:at 1.00 % in dipropylene glycol. sweet maple caramel sugar fenugreek licorice
Luebke, William tgsc, (1988)
Odor sample from: Pure Synthetics, Inc.
Flavor Type: caramellic
">sweet maple fenugreek burnt caramellic sugar burnt sugar resinous phenolic
Taste Description: sweet maple fenugreek burnt caramellic burnt sugar resinous phenolic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Anhui Haibei
3,4-Dimethyl-2-hydroxy-2-cyclopenten-1-one
Aromiens International
Caramel Pentadione
Beijing Lys Chemicals
3,4-Dimethyl-1,2-cyclopentadione
BOC Sciences
For experimental / research use only.
3,4-Dimethyl-1,2-Cyclopentanedione
Carbosynth
For experimental / research use only.
3,4-Dimethyl-1,2-cyclopentanedione
Ernesto Ventós
3,4-DIMETHYL-1,2-CYCLOPENTADIONE
Odor: MAPLE,WALNUT,SWEET,CARAMEL,LICORICE
Indukern F&F
METHYL CORYLONE
Odor: SWEET, MAPLE, CARAMEL
M&U International
3,4-DIMETHYL-2-HYDROXY-2-CYCLOPENTENYL-1-ONE, Kosher
Penta International
3,4-DIMETHYL-1,2-CYCLOPENTADIONE NATURAL 1% IN ETHYL ALCOHOL, Kosher
Penta International
3,4-DIMETHYL-1,2-CYCLOPENTADIONE NATURAL 5% IN ETHYL ALCOHOL, Kosher
Penta International
3,4-DIMETHYL-1,2-CYCLOPENTADIONE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
3,4-Dimethyl-1,2-cyclopentanedione
Sigma-Aldrich
3,4-Dimethyl-1,2-cyclopentadione, ≥97%, FG
Odor: anise; herbaceous
Certified Food Grade Products
Sunaux International
3,4-Dimethyl-2-hydroxy-2-cyclopentenyl-1-one
Synerzine
3,4-Dimethyl-1,2-cyclopentadione
TCI AMERICA
For experimental / research use only.
3,4-Dimethyl-1,2-cyclopentanedione >98.0%(T)
Treatt
3,4-Dimethyl-1,2-cyclopentadione
Halal, Kosher
Vigon International
Dimethyl-3,4 1,2-Cyclopentadione (Methyl Corylone)
Odor: Sweet,Brown,Maple
 
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
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
 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,-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
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
 
References:
 3,4-dimethylcyclopentane-1,2-dione
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13494-06-9
Pubchem (cid):61633
Pubchem (sid):135017184
 (3R,4R)-3,4-dimethylcyclopentane-1,2-dione
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13494-06-9
Pubchem (cid):6997363
Pubchem (sid):43599222
 (3R,4S)-3,4-dimethylcyclopentane-1,2-dione
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13494-06-9
Pubchem (cid):6997362
Pubchem (sid):43599221
 (3S,4R)-3,4-dimethylcyclopentane-1,2-dione
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13494-06-9
Pubchem (cid):6997365
Pubchem (sid):43599224
 (3S,4S)-3,4-dimethylcyclopentane-1,2-dione
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13494-06-9
Pubchem (cid):6997364
Pubchem (sid):43599223
 
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):HMDB37026
FooDB:FDB016006
Export Tariff Code:2914.29.0090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
cyclohexyl acetic acid
FL/FR
amber
ambroxan
FL/FR
balsamic
2-
acetyl furan
FL/FR
benzyl salicylate
FL/FR
fir balsam absolute
FR
myrrh oil
FL/FR
3-
phenyl propyl alcohol
FL/FR
berry
raspberry ketone
FL/FR
bready
coffee furanone
FL/FR
buttery
acetoin
FL/FR
acetyl propionyl
FL/FR
3,4-
hexane dione
FL/FR
caramellic
2-oxo
butyric acid
FL/FR
caramel furanone solution
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl cyclopentenolone
FL/FR
ethyl furaneol
FL/FR
ethyl maltol
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
fenugreek absolute
FL/FR
fenugreek oleoresin
FL/FR
geranyl crotonate
FR
immortelle absolute
FL/FR
levulinic acid
FL/FR
maltol
FL/FR
maltyl isobutyrate
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
menthone lactone
FL/FR
mesitene lactone
FR
5-
methyl furfural
FL/FR
rosefuran
FL/FR
shoyu furanone
FL/FR
strawberry furanone
FL/FR
toffee furanone
FL/FR
chocolate
2,4,5-
trimethyl thiazole
FL/FR
citrus
blood
orange oil italy
FL/FR
coconut
gamma-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
coumarinic
tonka bean resinoid
FR
creamy
gamma-
butyrolactone
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
ethyl pyruvate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
floral
ethyl phenyl acetate
FL/FR
floral pyranol
FR
heliotropin
FL/FR
heliotropyl acetone
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
methyl dihydrojasmonate
FL/FR
mimosa absolute france
FL/FR
nerolidol
FL/FR
ocean propanal
FL/FR
fruity
beta-
damascone
FL/FR
gamma-
decalactone
FL/FR
(E)-
ethyl tiglate
FL/FR
osmanthus flower absolute
FL/FR
tetrahydrofurfuryl acetate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
methyl octine carbonate
FL/FR
(E,Z)-2,6-
nonadien-1-ol
FL/FR
violet leaf absolute
FL/FR
hay
beeswax absolute
FL/FR
herbal
butyl levulinate
FL/FR
3-
propylidene phthalide
FL/FR
honey
methyl phenyl acetate
FL/FR
melon
melon heptenal
FL/FR
(Z)-6-
nonenal
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
mossy
veramoss (IFF)
FR
musty
3-
acetyl-2,5-dimethyl furan
FL/FR
nutty
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
1,2-
cyclohexane dione
FL/FR
2,3-
dimethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
2-
acetyl pyridine
FL/FR
powdery
para-
anisyl acetate
FL/FR
roasted
fenugreek resinoid
FL/FR
spicy
cassia bark oil china
FL/FR
black
currant bud absolute
FL/FR
iso
eugenyl acetate
FL/FR
(E)-
tiglic acid
FL/FR
sweet
2-
hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one
FL/FR
vanilla oleoresin bali
FL/FR
tonka
tonka bean absolute
FR
vanilla
ethyl vanillin
FL/FR
vanillin
FL/FR
vanillyl isobutyrate
FL/FR
vegetable
tetrahydrofurfuryl alcohol
FL/FR
woody
santall
FR
For Flavor
No flavor group found for these
2-
acetyl-3,4,5,6-tetrahydropyridine
FL
allyl 2-furoate
FL
benzyl disulfide
FL
1,2-
cyclohexane dione
FL/FR
2,5-
diethyl tetrahydrofuran
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl 4-pentenoate
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
furfuryl acetone
FL
2-
hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one
FL/FR
mango furanone
FL
menthone lactone
FL/FR
osmanthus flower absolute
FL/FR
rosefuran
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
beta-
damascone
FL/FR
acidic
acidic
levulinic acid
FL/FR
apple
(E,Z)-2,6-
nonadien-1-ol
FL/FR
balsamic
benzyl salicylate
FL/FR
myrrh oil
FL/FR
berry
heliotropyl acetone
FL/FR
raspberry ketone
FL/FR
brown
beeswax absolute
FL/FR
2-oxo
butyric acid
FL/FR
fenugreek oleoresin
FL/FR
5-
methyl furfural
FL/FR
tetrahydrofurfuryl acetate
FL/FR
(E)-
tiglic acid
FL/FR
burnt
furfuryl alcohol
FL
buttery
butter maple flavor
FL
diacetyl
FL
3,4-
hexane dione
FL/FR
caramellic
caramel furanone
FL
caramel furanone solution
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
ethyl furaneol
FL/FR
ethyl maltol
FL/FR
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
fenugreek absolute
FL/FR
fenugreek resinoid
FL/FR
honey maple flavor
FL
lucuma flavor
FL
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
3-
methyl butyl 2-furyl butyrate
FL
shoyu furanone
FL/FR
strawberry furanone
FL/FR
toffee furanone
FL/FR
cherry
heliotropin
FL/FR
citrus
blood
orange oil italy
FL/FR
coffee
2-
thiophene thiol
FL
corn
2-
acetyl pyridine
FL/FR
2-
acetyl-2-thiazoline
FL
creamy
acetoin
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
fatty
(E,E)-2,4-
undecadienal
FL
2,4-
undecadienal
FL
floral
methyl dihydrojasmonate
FL/FR
methyl phenyl acetate
FL/FR
ocean propanal
FL/FR
fruity
para-
anisyl acetate
FL/FR
gamma-
decalactone
FL/FR
(E)-
ethyl tiglate
FL/FR
furfuryl valerate
FL
2-
pentanoyl furan
FL
iso
valeraldehyde propylene glycol acetal
FL/FR
green
immortelle absolute
FL/FR
melon heptenal
FL/FR
methyl octine carbonate
FL/FR
nerolidol
FL/FR
(Z)-6-
nonenal
FL/FR
3-
propylidene phthalide
FL/FR
violet leaf absolute
FL/FR
herbal
butyl levulinate
FL/FR
5-
hydroxymethyl furfural
FL
honey
ethyl phenyl acetate
FL/FR
jammy
ethyl cyclopentenolone
FL/FR
maltyl isobutyrate
FL/FR
lactonic
gamma-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
meaty
2-
mercaptomethyl pyrazine
FL
milky
gamma-
butyrolactone
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
musty
ethyl (E)-2-crotonate
FL/FR
nutty
2-
acetyl furan
FL/FR
3-
acetyl-2,5-dimethyl furan
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
coffee furanone
FL/FR
2,3-
dimethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
peanut oxazole
FL
tetrahydrofurfuryl alcohol
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
praline
praline flavor
FL
roasted
2-
acetyl pyrazine
FL/FR
rummy
ethyl pyruvate
FL/FR
spicy
cassia bark oil china
FL/FR
black
currant bud absolute
FL/FR
iso
eugenyl acetate
FL/FR
3-
phenyl propyl alcohol
FL/FR
sweet
caramel dione
FL
cyclohexyl acetic acid
FL/FR
dextro-
sorbitol
FL
vanilla oleoresin bali
FL/FR
toasted
acetyl propionyl
FL/FR
vanilla
ethyl vanillin
FL/FR
vanillin
FL/FR
vanillyl isobutyrate
FL/FR
waxy
furfuryl octanoate
FL
alpha-
hexyl cinnamaldehyde
FL/FR
mimosa absolute france
FL/FR
woody
ambroxan
FL/FR
 
Potential Uses:
FRbutterscotch
FLcaramel
FRcoffee
FL/FRfenugreek
FRmaple
FRtobacco
FRtoffee
FRtonka bean
FRvanilla
 
Occurrence (nature, food, other):note
 bacon cooked bacon
Search PMC Picture
 coffee
Search PMC Picture
 tobacco
Search Trop Picture
 
Synonyms:
 caramel pentadione
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)
 

Articles:

 None found yet.
 
Notes:
Constit. of coffee. Flavouring additive with sugary/maple/caramel taste
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