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

3-hepten-2-one
N-butylidene acetone

Sponsors

Name:hept-3-en-2-one
CAS Number: 1119-44-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-278-8
Nikkaji Web:J110.419E
MDL:MFCD00015564
CoE Number:11094
XlogP3-AA:1.70 (est)
Molecular Weight:112.17184000
Formula:C7 H12 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:1127 3-hepten-2-one
FLAVIS Number:07.105 (Old)
DG SANTE Food Flavourings:07.105 hept-3-en-2-one
FEMA Number:3400 3-hepten-2-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-HEPTEN-2-ONE
 
Physical Properties:
Appearance:colorless clear oily liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84200 to 0.84800 @ 25.00 °C.
Pounds per Gallon - (est).: 7.006 to 7.056
Refractive Index:1.44000 to 1.44800 @ 20.00 °C.
Boiling Point: 63.00 °C. @ 13.00 mm Hg
Boiling Point: 85.00 °C. @ 66.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:2.703000 mm/Hg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point: 120.00 °F. TCC ( 48.89 °C. )
logP (o/w): 1.670 (est)
Soluble in:
 alcohol
 water, slightly
 water, 3087 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:high ,
recommend smelling in a 10.00 % solution or less
Substantivity: > 1 hour(s) at 100.00 %
green grassy caraway
Odor Description:at 10.00 % in dipropylene glycol. green grassy caraway
sweet fruity ketonic cheesy green woody
Odor Description:Sweet, fruity, ketonic, cheesy, with a green woody nuance
Mosciano, Gerard P&F 18, No. 1, 43, (1993)
Flavor Type: creamy
creamy coconut cheesy
Taste Description: at 10.00 ppm. Creamy, coconut, cheesy
Mosciano, Gerard P&F 18, No. 1, 43, (1993)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
3-HEPTEN-2-ONE ≥96.0%, Kosher, Special Order
Odor Description:A powerful, green grassy, caraway note
Adds an interesting green note to fruity compositions.
Taste Description:creamy
For use in caraway, passion fruit and pineapple flavors.
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
Coconut Ketone NATURAL 10% in EtOH (3-HEPTENE-2-ONE)
Bedoukian Research
3-HEPTEN-2-ONE
≥96.0%, Kosher, Special Order
Odor: A powerful, green grassy, caraway note
Use: Adds an interesting green note to fruity compositions.
Flavor: creamy
For use in caraway, passion fruit and pineapple flavors.
BOC Sciences
For experimental / research use only.
3-HEPTEN-2-ONE 96.0%
Parchem
3-hepten-2-one
Penta International
3-HEPTEN-2-ONE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
3-Hepten-2-one
Sigma-Aldrich
Coconut ketone solution, 10 wt. % in ethanol, natural (US)
Odor: green; grassy
Certified Food Grade Products
TCI AMERICA
For experimental / research use only.
3-Hepten-2-one >95.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24 - Avoid contact with skin.
S 36 - Wear suitable protective clothing.
 
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 3-hepten-2-one usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.16 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.07 (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: 7
 average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: -2.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -0.70000
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):

Scientific Opinion on Flavouring Group Evaluation 204 (FGE.204): Consideration of genotoxicity data on representatives for 18 mono-unsaturated, aliphatic, a,▀-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 by EFSA
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):1119-44-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5364578
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:3
hept-3-en-2-one
Chemidplus:0001119444
 
References:
 hept-3-en-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1119-44-4
Pubchem (cid):5364578
Pubchem (sid):134979780
 
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):HMDB31486
FooDB:FDB008064
Export Tariff Code:2914.19.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
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
alliaceous
dibutyl sulfide
FL/FR
buttery
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
2,3-
heptane dione
FL/FR
cheesy
butyric acid
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
citrus
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
coconut
alpha-
angelica lactone
FL/FR
delta-
decalactone
FL/FR
gamma-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
coumarinic
phthalide
FL/FR
creamy
delta-
tridecalactone
FL/FR
waxy lactone
FL/FR
fatty
hexanoic acid
FL/FR
floral
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
mimosa absolute morocco
FL/FR
fruity
cyclohexyl carboxylic acid
FL/FR
filbert hexenone
FL/FR
4-
heptanone
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
methyl (Z)-5-octenoate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
methyl-2-pentenal
FL/FR
2-
nonanone
FL/FR
peach cyclopentanone
FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
sorbyl butyrate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
fungal
1-
decen-3-ol
FL/FR
green
alfalfa absolute
FR
alfalfa oil
FL/FR
alfalfa resinoid
FL/FR
bark carbaldehyde
FR
butyl 2-methyl butyrate
FL/FR
butyl heptanoate
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
cognac heptanone
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
green specialty
FR
3-
heptanone
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
heptyl heptanoate
FL/FR
hexanal dihexyl acetal
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(E)-2-
hexenal
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl butyrate
FL/FR
hexyl hexanoate
FL/FR
lilac acetaldehyde
FL/FR
propylene acetal
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
herbal
clary sage resin america
FR
3-
octanone
FL/FR
oregano specialty
FR
minty
(-)-iso
pulegol
FL/FR
iso
pulegol
FL/FR
musk
iso
ambrettolide
FL/FR
nutty
nutty quinoxaline
FL/FR
soapy
ethyl undecanoate
FL/FR
tonka
6-
amyl-alpha-pyrone
FL/FR
mint lactone
FL/FR
waxy
2-
methyl heptanoic acid
FL/FR
methyl laurate
FL/FR
nonanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-4-isopropenyl pyridine
FL
2-
acetyl-4-isopropyl pyridine
FL
butyl 2-methyl butyrate
FL/FR
butyl methyl ketone
FL
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
ethyl cyclohexyl carboxylate
FL
2-
ethyl pyridine
FL
3-(2-
furyl) acrolein
FL
(E,E)-2,4-
heptadien-1-ol
FL
(Z)-3-
hepten-1-ol
FL/FR
2-
heptenoic acid
FL
hexanal dihexyl acetal
FL/FR
(Z)-3-
hexenoic acid
FL
5-
methyl hexanoic acid
FL
3-(
methyl thio) hexanal
FL
4-
methyl valeric acid
FL
(E,E)-3,5-
octadien-2-one
FL
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
propylene acetal
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
buttery
2,3-
heptane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
cheesy
hexanoic acid
FL/FR
2-
nonanone
FL/FR
citrus
cognac heptanone
FL/FR
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
coconut
delta-
decalactone
FL/FR
massoia bark oil CO2 extract
FL
(R)-
massoia lactone
FL
coumarinic
phthalide
FL/FR
creamy
acetoin butyrate
FL
6-
amyl-alpha-pyrone
FL/FR
alpha-
angelica lactone
FL/FR
butyl butyryl lactate
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
massoia lactone
FL
2-
methyl-4-pentenoic acid
FL
mint lactone
FL/FR
delta-
tridecalactone
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
waxy lactone
FL/FR
dairy
methyl (Z)-5-octenoate
FL/FR
4-
pentenoic acid
FL
earthy
1-
decen-3-ol
FL/FR
fatty
dimethyl sulfoxide
FL
nonanoic acid
FL/FR
(E)-2-
octenoic acid
FL
fermented
methyl thio isovalerate
FL
floral
3,7-
dimethyl-6-octenoic acid
FL/FR
mimosa absolute morocco
FL/FR
fruity
banana coconut cream flavor
FL
butyl heptanoate
FL/FR
cyclohexyl carboxylic acid
FL/FR
filbert hexenone
FL/FR
2-
furyl pentyl ketone
FL
4-
heptanone
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl hexanoate
FL/FR
lilac acetaldehyde
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
methyl butyric acid
FL/FR
2-
methyl-2-pentenal
FL/FR
sorbyl butyrate
FL/FR
green
alfalfa oil
FL/FR
alfalfa resinoid
FL/FR
dibutyl sulfide
FL/FR
heptyl heptanoate
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(E)-2-
hexenal
FL/FR
(Z)-3-
hexenal
FL/FR
(E)-3-
hexenoic acid
FL
hexyl butyrate
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
ketonic
3-
heptanone
FL/FR
lactonic
gamma-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
meaty
2-
methyl 3-(methyl thio) furan
FL
minty
iso
pulegol
FL/FR
(-)-iso
pulegol
FL/FR
mushroom
3-
octanone
FL/FR
musk
iso
ambrettolide
FL/FR
musty
S-(
methyl thio) butyrate
FL/FR
nutty
nutty quinoxaline
FL/FR
oily
2-
methyl hexanoic 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
sweet
cyclohexyl acetic acid
FL/FR
toasted
acetyl propionyl
FL/FR
waxy
ethyl undecanoate
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl laurate
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
 
Potential Uses:
FL/FRcaraway seed
FLcheese
FRcoconut
FRcream
 grass
FRgreen
 melon watermelon muskmelon cantaloupe
FRpassion fruit
FRpineapple
 
Occurrence (nature, food, other):note
 filbert roasted filbert
Search Trop Picture
 
Synonyms:
 butylidene acetone
N-butylidene acetone
 coconut ketone
 coconut ketone 10% in EtOH
 coconut ketone solution
 hept-3-en-2-one
 ketone, methyl pentenyl
 methyl pentenyl ketone
 
 
Notes:
Flavouring ingredient
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy