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

3,4-hexane dione
3,4-hexanedione

Sponsors

Name:hexane-3,4-dione
CAS Number: 4437-51-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:224-651-7
FDA UNII:4M4NPR5VGD
Nikkaji Web:J26.128I
Beilstein Number:1700837
MDL:MFCD00010237
CoE Number:2255
XlogP3-AA:0.50 (est)
Molecular Weight:114.14410000
Formula:C6 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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:413 3,4-hexanedione
FLAVIS Number:07.077 (Old)
DG SANTE Food Flavourings:07.077 hexane-3,4-dione
FEMA Number:3168 3,4-hexanedione
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3,4-HEXANEDIONE
 
Physical Properties:
Appearance:yellow clear oily liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.94100 to 0.94900 @ 20.00 °C.
Pounds per Gallon - (est).: 7.839 to 7.906
Refractive Index:1.39900 to 1.41200 @ 20.00 °C.
Melting Point: -10.00 °C. @ 760.00 mm Hg
Boiling Point: 123.00 to 125.00 °C. @ 760.00 mm Hg
Boiling Point: 49.00 °C. @ 13.00 mm Hg
Vapor Pressure:9.907000 mm/Hg @ 25.00 °C. (est)
Vapor Density:3.9 ( Air = 1 )
Flash Point: 88.00 °F. TCC ( 31.11 °C. )
logP (o/w): -0.321 (est)
Soluble in:
 alcohol
 water, slightly
 water, 2.113e+005 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: buttery
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
buttery almond toasted almond nutty caramellic
Odor Description:at 1.00 % in dipropylene glycol. buttery toasted almond nutty caramellic
Flavor Type: buttery
">caramellic nutty buttery
Taste Description: caramel nutty buttery
Odor and/or flavor descriptions from others (if found).
Frutarom
3,4 HEXANEDIONE
Odor Description:Butter, Caramel, Pungent
Suggested Uses: Bakery, Coffee, Dairy Products, Savoury
Ernesto Ventós
3,4-HEXANEDIONE
Odor Description:BUTTER,TOASTED,ALMOND,NUTTY,CARAMEL
Taste Description:butter
 
Cosmetic Information:
None found
 
Suppliers:
Apiscent Labs
3, 4 HEXANEDIONE, 96.00%+
Apiscent Labs
3, 4 HEXANEDIONE
Odor: Butyric sweet
Beijing Lys Chemicals
3,4-Hexanedione
BOC Sciences
For experimental / research use only.
3,4-Hexanedione
Charkit Chemical
HEXANEDIONE, 3,4- H0450 FEMA 3168
DeLong Chemicals America
3,4-Hexanedione
Ernesto Ventós
3,4-HEXANEDIONE
Odor: BUTTER,TOASTED,ALMOND,NUTTY,CARAMEL
FCI SAS
3,4-HEXANEDIONE
Odor: Butyric sweet
Frutarom
3,4 HEXANEDIONE
Odor: Butter, Caramel, Pungent
Use: Suggested Uses: Bakery, Coffee, Dairy Products, Savoury
Jinan Enlighten Chemical Technology(Wutong Aroma )
3,4-Hexanedione, Kosherk
M&U International
3,4-HEXANEDIONE, Kosher
O'Laughlin Industries
3,4-HEXANEDIONE
Penta International
3,4-HEXANEDIONE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
3,4-Hexanedione ≥94%
Sigma-Aldrich
3,4-Hexanedione, ≥90%
Odor: caramel; creamy; coffee
Certified Food Grade Products
Sunaux International
3,4-Hexanedione
Synerzine
3,4-Hexanedione
Taytonn
3,4-Hexanedione
Odor: Buttery, Caramellic/ Caramel, Pungent
TCI AMERICA
For experimental / research use only.
3,4-Hexanedione >96.0%(GC)
Tengzhou Jitian Aroma Chemiclal
3,4-Hexanedione
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
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:
oral-rat LD50 > 5000 mg/kg

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 3,4-hexane dione usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 21.00 (μg/capita/day)
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: 4
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -10.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -10.00000
fruit ices: -10.00000
gelatins / puddings: -10.00000
granulated sugar: --
gravies: --
hard candy: -10.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 11 (FGE.11): Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 11, Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
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
Chemical Carcinogenesis Research Information System:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):4437-51-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62539
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:1
hexane-3,4-dione
Chemidplus:0004437518
 
References:
 hexane-3,4-dione
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4437-51-8
Pubchem (cid):62539
Pubchem (sid):135020467
Pherobase:View
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31492
FooDB:FDB008071
Export Tariff Code:2914.19.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
butter oil CO2 extract
FL/FR
butter starter distillates
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
2-
methyl butyric acid
FL/FR
aldehydic
acetyl nonyryl
FL/FR
balsamic
cinnamyl benzoate
FL/FR
bready
coffee furanone
FL/FR
furfural
FL/FR
buttery
acetoin
FL/FR
acetoin dimer
FL/FR
acetoin propylene glycol acetal
FL/FR
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
iso
butyl lactate
FL/FR
butyl octanoate
FL/FR
2,3-
heptane dione
FL/FR
caramellic
cyclotene
FL/FR
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
cheesy
butyric acid
FL/FR
2-
methyl valeric acid
FL/FR
coconut
coconut naphthalenone
FL/FR
delta-
decalactone
FL/FR
gamma-
heptalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
delta-
undecalactone
FL/FR
corn chip
popcorn pyrimidine
FL/FR
coumarinic
epsilon-
decalactone
FL/FR
tonka bean resinoid
FR
creamy
waxy lactone
FL/FR
fatty
butter esters
FL/FR
butyl undecylenate
FL/FR
fermented
butyl laevo-lactate
FL/FR
floral
benzyl lactate
FL/FR
jasmin pyranone
FL/FR
linalyl butyrate
FL/FR
fruity
acetoin acetate
FL/FR
gamma-
decalactone
FL/FR
ethyl lactate
FL/FR
2-
nonanone
FL/FR
prenyl isobutyrate
FL/FR
sorbyl butyrate
FL/FR
tetrahydrofurfuryl acetate
FL/FR
green
(Z)-4-
heptenal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
mushroom
1-
octen-3-yl butyrate
FL/FR
musty
3-
acetyl-2,5-dimethyl furan
FL/FR
nutty
2-
acetyl-3-methyl pyrazine
FL/FR
3,5-
cocoa pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
nutty cyclohexenone
FL/FR
oily
butter acids
FL/FR
soapy
ethyl undecanoate
FL/FR
tonka
tonka bean absolute
FR
whiskey lactone
FL/FR
tropical
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
waxy
2-
methyl heptanoic acid
FL/FR
delta-
tetradecalactone
FL/FR
woody
4-
hydroxybenzaldehyde
FL/FR
For Flavor
No flavor group found for these
benzyl lactate
FL/FR
butter nut rum flavor
FL
butyl octanoate
FL/FR
cinnamyl benzoate
FL/FR
coconut naphthalenone
FL/FR
6-
decenoic acid
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
2,4-
heptadien-1-ol
FL
3-(
methyl thio) hexanal
FL
2-
methyl-3-(methyl thio) pyrazine
FL/FR
prenyl isobutyrate
FL/FR
sodium 4-methyl-2-oxovalerate
FL
acidic
acidic
iso
butyric acid
FL/FR
aldehydic
acetyl nonyryl
FL/FR
alliaceous
3-
tetrahydrothiophenone
FL
bitter
glyceryl tributyrate
FL
brown
furfural
FL/FR
tetrahydrofurfuryl acetate
FL/FR
burnt
2-
methyl quinoxaline
FL
buttery
acetoin propylene glycol acetal
FL/FR
bovolide
FL
butter cream frosting flavor
FL
butter enhancers
FL
creamy
butter flavor
FL
butter flavor
FL
sweet
butter flavor
FL
butter maple flavor
FL
butter nut vanilla flavor
FL
butter oil CO2 extract
FL/FR
butter pecan flavor
FL
butter praline flavor
FL
butter starter distillates
FL/FR
butter toffee flavor
FL
butter vanilla nut flavor
FL
iso
butyl lactate
FL/FR
butyl laevo-lactate
FL/FR
butyroin
FL
diacetyl
FL
ghee flavor
FL
2,3-
heptane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
caramellic
butter rum toffee flavor
FL
caramel nut cream flavor
FL
caramel nut fudge flavor
FL
cyclotene
FL/FR
maple nut flavor
FL
3-
methyl butyl 2-furyl butyrate
FL
cheesy
2-
nonanone
FL/FR
chocolate
chocolate butter cream flavor
FL
chocolate caramel nut flavor
FL
citrus
butter lemon orange flavor
FL
cocoa
2-
methyl furan
FL
coconut
delta-
decalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
corn chip
popcorn pyrimidine
FL/FR
creamy
acetoin
FL/FR
acetoin butyrate
FL
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
divanillin
FL
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
4-
hydroxybenzaldehyde
FL/FR
jasmin pyranone
FL/FR
delta-
undecalactone
FL/FR
waxy lactone
FL/FR
dairy
acetoin dimer
FL/FR
fatty
butter acids
FL/FR
diacetyl trimer
FL
(E,E)-2,4-
undecadienal
FL
floral
linalyl butyrate
FL/FR
fruity
acetoin acetate
FL/FR
acetyl isovaleryl
FL
gamma-
decalactone
FL/FR
ethyl lactate
FL/FR
2,4-
hexadien-1-ol
FL
2-
methyl butyric acid
FL/FR
sorbyl butyrate
FL/FR
green
(Z)-4-
heptenal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
lactonic
gamma-
heptalactone
FL/FR
metallic
2,5-
dihydroxy-1,4-dithiane
FL
mushroom
1-
octen-3-yl butyrate
FL/FR
nutty
3-
acetyl-2,5-dimethyl furan
FL/FR
2-
acetyl-3-methyl pyrazine
FL/FR
butter pecan cake flavor
FL
3,5-
cocoa pyrazine
FL/FR
coffee furanone
FL/FR
2,5-
diethyl-3-methyl pyrazine
FL
2-
ethyl pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
nutty cyclohexenone
FL/FR
peanut brittle flavor
FL
peanut oxazole
FL
sour
butyric acid
FL/FR
spicy
spiced
butter rum flavor
FL
cinnamon butter pecan flavor
FL
cinnamon nut butter rum flavor
FL
sweet
honey distillates
FL
vanilla butter nut flavor
FL
toasted
acetyl propionyl
FL/FR
waxy
butyl undecylenate
FL/FR
epsilon-
decalactone
FL/FR
ethyl undecanoate
FL/FR
2-
methyl heptanoic acid
FL/FR
delta-
tetradecalactone
FL/FR
winey
5-
ethyl-2-methyl pyridine
FL
woody
whiskey lactone
FL/FR
 
Potential Uses:
FRalmond
FRbutter
FRbutterscotch
FLcaramel
FRcoffee
FLnut
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 
Synonyms:
 bipropionyl
 diethyl diketone
3,4-dioxohexane
 dipropionyl
 hexan-3,4-dione
3,4-hexandione
 hexane-3,4-dione
3, 4 hexanedione
3,4-hexanedione
 
 
Notes:
Flavouring ingredient
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