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4-heptanone
propyl ketone

Sponsors

Flavor Demo Formulas
Name:heptan-4-one
CAS Number: 123-19-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-608-9
FDA UNII:9BN582JQ61
Nikkaji Web:J43.327F
Beilstein Number:1699049
MDL:MFCD00009403
CoE Number:2034
XlogP3-AA:1.60 (est)
Molecular Weight:114.18778000
Formula:C7 H14 O
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:287 4-heptanone
FLAVIS Number:07.058 (Old)
DG SANTE Food Flavourings:07.058 heptan-4-one
FEMA Number:2546 4-heptanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 4-HEPTANONE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.79300 to 0.83300 @ 25.00 °C.
Pounds per Gallon - (est).: 6.599 to 6.931
Refractive Index:1.40300 to 1.41100 @ 20.00 °C.
Melting Point: -33.00 °C. @ 760.00 mm Hg
Boiling Point: 144.00 to 145.00 °C. @ 760.00 mm Hg
Vapor Pressure:5.197000 mm/Hg @ 25.00 °C. (est)
Vapor Density:3.93 ( Air = 1 )
Flash Point: 120.00 °F. TCC ( 48.89 °C. )
logP (o/w): 1.996 (est)
Soluble in:
 alcohol
 water, 3511 mg/L @ 25 °C (est)
 water, 3200 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
fruity cheesy sweet cognac pineapple
Odor Description:at 10.00 % in dipropylene glycol. fruity cheese sweet cognac pineapple
fruity cheesy sweet tutti frutti cognac pineapple
Odor Description:Diffusive, fruity, cheesy, sweet, tutti-frutti, cognac and pineapple nuances
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
Flavor Type: fruity
">fruity
Taste Description: fruity
fruity cheesy ketonic
Taste Description: at 4.00 ppm. Fruity, diffusive, cheesy and ketonic
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Alfrebro
4-HEPTANONE NATURAL
Odor: Fruity, Pineapple
Beijing Lys Chemicals
4-Heptanone
EMD Millipore
For experimental / research use only.
4-Heptanone
M&U International
4-HEPTANONE, Kosher
Penta International
4-HEPTANONE NATURAL, Kosher
Penta International
4-HEPTANONE, Kosher
Reincke & Fichtner
4-Heptanone natural
Sigma-Aldrich
4-Heptanone, ≥97%, FG
Odor: apple; banana; cheese; nutty; peanut; pineapple; strawberry
Certified Food Grade Products
Synerzine
4-Heptanone
TCI AMERICA
For experimental / research use only.
4-Heptanone >97.0%(GC)
Vigon International
Heptanone-4 (Dipropyl Ketone)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 20 - Harmful by inhalation.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
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 37/39 - Wear suitable 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 3049 mg/kg
(Carpenter et al., 1974)

intravenous-mouse LDLo 271 mg/kg
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.

oral-rat LD50 3730 ul/kg
Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Dermal Toxicity:
skin-rabbit LD50 5660 ul/kg
Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Inhalation Toxicity:
inhalation-rat LC50 2690 ppm/6H
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: SLEEP LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4764, 1982.

 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 4-heptanone usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.90 (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: 3
 average usual ppmaverage maximum ppm
baked goods: -27.00000
beverages(nonalcoholic): -7.80000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -11.00000
fruit ices: -11.00000
gelatins / puddings: 0.600008.00000
granulated sugar: --
gravies: --
hard candy: -19.00000
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 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
NLM Hazardous Substances Data Bank:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):123-19-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31246
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2710
WGK Germany:2
heptan-4-one
Chemidplus:0000123193
EPA/NOAA CAMEO:hazardous materials
RTECS:123-19-3
 
References:
 heptan-4-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:123-19-3
Pubchem (cid):31246
Pubchem (sid):134974385
 
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):HMDB04814
FooDB:FDB008059
Export Tariff Code:2914.10
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
Formulations/Preparations:
grade: technical
 
Potential Blenders and core components note
For Odor
acidic
iso
butyric acid
FL/FR
cyclohexyl acetic acid
FL/FR
2-
methyl butyric acid
FL/FR
animal
methyl (E)-2-octenoate
FL/FR
buttery
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
2,3-
heptane dione
FL/FR
cheesy
butyric acid
FL/FR
heptanoic acid
FL/FR
2-
heptanone
FL/FR
2-
methyl hexanoic acid
FL/FR
S-(
methyl thio) butyrate
FL/FR
2-
methyl valeric acid
FL/FR
2-
methyl-2-hexenoic acid
FR
chemical
propyl propionate
FL/FR
citrus
bitter
orange peel oil brazil
FL/FR
ethereal
decyl propionate
FL/FR
ethyl formate
FL/FR
fatty
allyl octanoate
FL/FR
hexanoic acid
FL/FR
methyl 2-hexenoate
FL/FR
octanoic acid
FL/FR
fermented
iso
butyl decanoate
FL/FR
hexanal diethyl acetal
FL/FR
3-
methyl-1-pentanol
FL/FR
fruity
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl sorbate
FL/FR
(E,E)-
allyl sorbate
FL/FR
amyl hexanoate
FL/FR
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
berry pentadienoate
FL/FR
iso
butyl 2-butenoate
FL/FR
butyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
iso
butyl propionate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl carboxylic acid
FL/FR
cyclohexyl hexanoate
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl butyrate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
filbert hexenone
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
pineapple hydroxyhexanoate
FL/FR
prenyl hexanoate
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
sorbyl butyrate
FL/FR
green
ethyl (E)-4-decenoate
FL/FR
galbanum oxyacetate
FR
3-
heptanone
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
herbal
3-
octanone
FL/FR
minty
ethyl salicylate
FL/FR
nutty
nutty quinoxaline
FL/FR
soapy
ethyl undecanoate
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
waxy
2-
methyl heptanoic acid
FL/FR
nonanoic acid
FL/FR
2-
nonanol
FL/FR
2-
tridecanone
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl sorbate
FL/FR
(E,E)-
allyl sorbate
FL/FR
iso
amyl 3-methyl thiopropionate
FL
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
iso
butyl decanoate
FL/FR
cyclohexyl hexanoate
FL/FR
decyl propionate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl cyclohexyl carboxylate
FL
(E,E)-2,4-
heptadien-1-ol
FL
hexanal diethyl acetal
FL/FR
(Z)-3-
hexenoic acid
FL
methyl (Z)-4-octenoate
FL/FR
methyl 2-hexenoate
FL/FR
5-
methyl hexanoic acid
FL
4-
methyl valeric acid
FL
prenyl hexanoate
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
sorbyl propionate
FL
acidic
acidic
iso
butyric acid
FL/FR
(E)-2-
hexenoic acid
FL
buttery
2,3-
heptane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
cheesy
ammonium isovalerate 30% in pg
FL
2-
heptanone
FL/FR
hexanoic acid
FL/FR
creamy
acetoin butyrate
FL
butyl butyryl lactate
FL/FR
2-
methyl-4-pentenoic acid
FL
dairy
4-
pentenoic acid
FL
ethereal
ethyl formate
FL/FR
fatty
allyl octanoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
nonanoic acid
FL/FR
(E)-2-
octenoic acid
FL
2-
tridecanone
FL/FR
fermented
methyl thio isovalerate
FL
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
amyl hexanoate
FL/FR
berry pentadienoate
FL/FR
butyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
iso
butyl propionate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
filbert hexenone
FL/FR
furfuryl valerate
FL
methyl (E)-2-octenoate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
methyl butyric acid
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
bitter
orange peel oil brazil
FL/FR
pineapple hydroxyhexanoate
FL/FR
sorbyl butyrate
FL/FR
green
iso
butyl 2-butenoate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
4-
methyl-2-pentenal
FL
ketonic
3-
heptanone
FL/FR
meaty
2-
methyl 3-(methyl thio) furan
FL
minty
ethyl salicylate
FL/FR
mushroom
3-
octanone
FL/FR
musty
S-(
methyl thio) butyrate
FL/FR
nutty
nutty quinoxaline
FL/FR
oily
2-
methyl hexanoic acid
FL/FR
soapy
octanoic acid
FL/FR
sour
butyric acid
FL/FR
2,4-
dimethyl-2-pentenoic acid
FL
3-
methyl valeric acid
FL
sulfurous
methyl 4-(methyl thio) butyrate
FL
tropical 3-thiobutyrate
FL/FR
sweet
cyclohexyl acetic acid
FL/FR
toasted
acetyl propionyl
FL/FR
tropical
propyl propionate
FL/FR
waxy
ethyl undecanoate
FL/FR
heptanoic acid
FL/FR
2-
methyl heptanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
 
Potential Uses:
FRapple
FRbanana
FRcoffee
FRcognac
FRfruit
FRpapaya
FRpeanut
FRpear
FRpineapple
FRtobacco
FLtropical
 
Occurrence (nature, food, other):note
 apple juice
Search PMC Picture
 bread
Search PMC Picture
 cabbage
Search Trop Picture
 chicken fat
Search PMC Picture
 coffee
Search PMC Picture
 papaya fruit
Search Trop Picture
 peanut roasted peanut
Search Trop Picture
 pear fruit
Search Trop Picture
 potato baked potato
Search Trop Picture
 tobacco smoke
Search Picture
 
Synonyms:
 butyrone
 di-N-propyl ketone
 di(n-propyl) ketone
 dipropyl ketone
 DPK
 heptan-4-one
4-heptanone
4-heptanone (dipropyl ketone) natural
4-heptanone natural
 heptanone-4
 ketone, dipropyl
 propyl ketone
 
 
Notes:
marker in diabetes mellitus urine. Flavouring ingredient Is a volatile organic ketone found in almost all urine samples of normal individuals. (PMID 15996539); It has been hypothesized that arises from in vivo beta-oxidation of 2-ethylhexanoic acid (EHA) from plasticizers, similar to formation of 3-heptanone from valproic acid. (PMID 11282094)
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