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4-hexen-3-one
hex-4-en-3-one

Sponsors

Name:hex-4-en-3-one
CAS Number: 2497-21-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:219-681-2
MDL:MFCD00010631
CoE Number:718
XlogP3-AA:1.20 (est)
Molecular Weight:98.14490000
Formula:C6 H10 O
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(E)-4-hexen-3-one
 (Z)-4-hexen-3-one
Category:flavoring 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:1125 4-hexen-3-one
FLAVIS Number:07.048 (Old)
DG SANTE Food Flavourings:07.048 4-hexen-3-one
FEMA Number:3352 4-hexen-3-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 4-HEXENE-3-ONE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.80180 to 0.82180 @ 20.00 °C.
Pounds per Gallon - (est).: 6.680 to 6.846
Specific Gravity:0.85500 to 0.86100 @ 25.00 °C.
Pounds per Gallon - est.: 7.114 to 7.164
Refractive Index:1.43500 to 1.44100 @ 20.00 °C.
Refractive Index:1.43700 to 1.44300 @ 20.00 °C.
Boiling Point: 135.00 to 137.00 °C. @ 760.00 mm Hg
Boiling Point: 76.20 °C. @ 8.50 mm Hg
Vapor Pressure:6.710000 mm/Hg @ 25.00 °C. (est)
Flash Point: 94.00 °F. TCC ( 34.44 °C. )
logP (o/w): 1.160 (est)
Soluble in:
 alcohol
 water, 8974 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: acidic
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
pungent ethereal spicy green tropical metallic
Odor Description:at 1.00 % in propylene glycol. pungent ethereal spicy green tropical metallic
pungent acidic metallic ethereal
Odor Description:Pungent, acrid, metallic and etherial
Mosciano, Gerard P&F 18, No. 3, 53, (1993)
Flavor Type: ethereal
ethereal whiskey metallic fruity tropical
Taste Description: at 20.00 ppm. Etherial, whiskey-Iike and metallic, fruity with tropical nuances
Mosciano, Gerard P&F 18, No. 3, 53, (1993)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
4-Hexen-3-one
BOC Sciences
For experimental / research use only.
4-Hexen-3-one 95%
Endeavour Specialty Chemicals
4-Hexen-3-one 98%
Speciality Chemical Product Groups
M&U International
4-HEXEN-3-ONE
O'Laughlin Industries
4-HEXEN-3-ONE
Penta International
4-HEXEN-3-ONE NATURAL IN ETOH, Kosher
Penta International
4-HEXENE-3-ONE, Kosher
Robinson Brothers
4-Hexen-3-one
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
4-Hexen-3-one, predominantly trans
Sigma-Aldrich
4-Hexen-3-one, ≥92%
Odor: ethereal
Certified Food Grade Products
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Hexen-3-one, predominantly trans ≥90%
Synerzine
4-hexen-3-one - 98%
Synerzine
4-Hexen-3-one
Tengzhou Xiang Yuan Aroma Chemicals
4-Hexen-3-one
Treatt
4-Hexen-3-one
Halal, Kosher
Odor: pungent, ethereal, spicy, green aroma, tropical & metallic
Flavor: ethereal
Probably used in savoury and spice flavours in trace amounts. Normal use levels in finished consumer product: 0.01-1 ppm. Council of Europe limits: Foods (1 ppm); Beverages (1 ppm).
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
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 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-mouse LD50 780 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 4-hexen-3-one usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 13.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (μg/capita/day)
Structure Class: I
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: 6
 average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: -1.00000
cheese: --
chewing gum: -1.00000
condiments / relishes: -1.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: -1.00000
hard candy: -1.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: -1.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -1.00000
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):2497-21-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :17244
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:3
hex-4-en-3-one
Chemidplus:0002497214
RTECS:MP8659900 for cas# 2497-21-4
 
References:
 hex-4-en-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2497-21-4
Pubchem (cid):17244
Pubchem (sid):134983518
 
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):HMDB35239
FooDB:FDB013898
Export Tariff Code:2914.19.9090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
2-
ethyl butyric acid
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anisic
estragole
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ocimum basilicum herb oil
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ocimum basilicum herb oil egypt
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ocimum basilicum leaf oil america
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ocimum basilicum leaf oil CO2 extract
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ocimum basilicum leaf oil india
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balsamic
(E)-
cinnamyl alcohol
FL/FR
guaiyl acetate
FL/FR
linalyl cinnamate
FL/FR
2-
phenyl propyl alcohol
FL/FR
cheesy
S-(
methyl thio) butyrate
FL/FR
chemical
propyl propionate
FL/FR
citrus
bergamot oil
FL/FR
bergamot oil bergaptene reduced italy
FL/FR
bergamot oil turkey
FL/FR
coffee
coffee difuran
FL/FR
ethereal
propyl valerate
FL/FR
fatty
allyl octanoate
FL/FR
(R)-gamma-
octalactone
FL/FR
floral
citronellyl butyrate
FL/FR
black
currant bud concrete
FL/FR
geranium oil
FL/FR
geranium oil bourbon
FL/FR
geranyl propionate
FL/FR
phenethyl butyrate
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
styralyl propionate
FL/FR
fruity
apple ketal
FL/FR
benzyl butyrate
FL/FR
butyl isobutyrate
FL/FR
cinnamyl hexanoate
FL/FR
citronellyl isobutyrate
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 3-hexenoate
FL/FR
grape butyrate
FL/FR
propyl hexanoate
FL/FR
tropical thiazole
FL/FR
green
green note propionate
FL/FR
(Z)-3-
hepten-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
hop oil CO2 extract
FL/FR
marigold pot absolute
FL/FR
murraya koenigii leaf oil india
FL/FR
terpinyl propionate
FL/FR
herbal
anethum graveolens herb oil
FL/FR
anethum graveolens herb tincture
FL/FR
wild
carrot seed oil terpeneless
FL/FR
celery ketone
FL/FR
clary sage absolute
FL/FR
daucus carota fruit oil
FL/FR
dill weed oil cuba
FL/FR
dill weed oil reunion
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
curled
parsley seed oil
FL/FR
2-
pentyl acetate
FL/FR
perilla leaf oil
FL/FR
petroselinum crispum seed oil CO2 extract
FL/FR
thyme absolute
FL/FR
licorice
ocimum basilicum herb oil vietnam
FL/FR
ocimum basilicum leaf oil terpeneless
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
melon
(Z)-6-
nonen-1-yl acetate
FL/FR
spicy
iso
butyl angelate
FL/FR
cinnamaldehyde dimethyl acetal
FL/FR
cumin seed absolute
FL/FR
cuminaldehyde
FL/FR
black
currant bud absolute
FL/FR
myrcene
FR
2-
octanol
FL/FR
annus
wormwood oil vietnam
FL/FR
sulfurous
fish thiol
FL/FR
lychee mercaptan acetate
FL/FR
mango thiol
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
(S)-1-
methoxy-3-heptane thiol
FL/FR
passiflora acetate
FL/FR
tropical
ethyl (Z)-3-hexenoate
FL/FR
cis-
galbanum oxathiane
FL/FR
passiflora edulis fruit extract
FL/FR
psidium guajava fruit extract
FL/FR
2-
tropical oxathiane
FL/FR
waxy
ethyl nonanoate
FL/FR
heptyl octanoate
FL/FR
For Flavor
No flavor group found for these
benzyl methyl sulfide
FL
(E)-
cinnamyl alcohol
FL/FR
cinnamyl hexanoate
FL/FR
ethyl (Z)-3-hexenoate
FL/FR
guaiyl acetate
FL/FR
(Z)-3-
hepten-1-yl acetate
FL/FR
S-(
methyl thio) hexanoate
FL
(R)-gamma-
octalactone
FL/FR
perilla leaf oil
FL/FR
propyl valerate
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
4,4'-
thiobis-2-butanone
FL
2-
tropical oxathiane
FL/FR
acidic
acidic
2-
ethyl butyric acid
FL/FR
alliaceous
tropical thiazole
FL/FR
anisic
ocimum basilicum herb oil egypt
FL/FR
berry
(S)-1-
methoxy-3-heptane thiol
FL/FR
caramellic
pyruvaldehyde
FL
citrus
bergamot oil
FL/FR
bergamot oil bergaptene reduced italy
FL/FR
bergamot oil turkey
FL/FR
styralyl propionate
FL/FR
coffee
coffee difuran
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
dairy
2-
pentyl acetate
FL/FR
eggy
iso
propyl mercaptan
FL
fatty
allyl octanoate
FL/FR
4-
methyl nonanoic acid
FL/FR
2,4-
octadien-1-ol
FL
floral
geranium oil
FL/FR
geranium oil bourbon
FL/FR
fruity
apple ketal
FL/FR
benzyl butyrate
FL/FR
butyl isobutyrate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
black
currant bud concrete
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 3-hexenoate
FL/FR
tropical
fruit flavor
FL
2,4-
hexadien-1-ol
FL
kiwi flavor
FL
linalyl cinnamate
FL/FR
lychee flavor
FL
2-
mercapto-4-heptanol
FL
3-
mercaptohexyl hexanoate
FL
(E,E)-
methyl sorbate
FL
(Z)-3-
nonen-1-yl acetate
FL
papaya guava flavor
FL
passion fruit distillates
FL
phenethyl butyrate
FL/FR
propyl hexanoate
FL/FR
green
anethum graveolens herb tincture
FL/FR
iso
butyl angelate
FL/FR
celery ketone
FL/FR
clary sage absolute
FL/FR
cis-
galbanum oxathiane
FL/FR
grape butyrate
FL/FR
green note propionate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
marigold pot absolute
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
2-
phenyl propyl alcohol
FL/FR
terpinyl propionate
FL/FR
herbal
anethum graveolens herb oil
FL/FR
wild
carrot seed oil terpeneless
FL/FR
daucus carota fruit oil
FL/FR
dill weed oil cuba
FL/FR
dill weed oil reunion
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
ocimum basilicum herb oil
FL/FR
ocimum basilicum leaf oil america
FL/FR
ocimum basilicum leaf oil CO2 extract
FL/FR
ocimum basilicum leaf oil india
FL/FR
curled
parsley seed oil
FL/FR
petroselinum crispum seed oil CO2 extract
FL/FR
thyme absolute
FL/FR
juicy
lychee mercaptan acetate
FL/FR
licorice
estragole
FL/FR
ocimum basilicum herb oil vietnam
FL/FR
ocimum basilicum leaf oil terpeneless
FL/FR
meaty
meaty dithiane
FL/FR
2-
methyl-3-tetrahydrofuran thiol
FL
musty
S-(
methyl thio) butyrate
FL/FR
spicy
cinnamaldehyde dimethyl acetal
FL/FR
cumin seed absolute
FL/FR
cuminaldehyde
FL/FR
black
currant bud absolute
FL/FR
hop oil CO2 extract
FL/FR
murraya koenigii leaf oil india
FL/FR
2-
octanol
FL/FR
annus
wormwood oil vietnam
FL/FR
sulfurous
fish thiol
FL/FR
mango thiol
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
passiflora edulis fruit extract
FL/FR
propyl propionate
FL/FR
psidium guajava fruit
FL
psidium guajava fruit extract
FL/FR
waxy
ethyl nonanoate
FL/FR
geranyl propionate
FL/FR
heptyl octanoate
FL/FR
 
Potential Uses:
FLbutterscotch
FLcognac
FLhorseradish
FLrum
FLsavory
FLsavory
FLspice
FLtropical
FLwhiskey
 
Occurrence (nature, food, other):note
 chicken cooked chicken
Search PMC Picture
 
Synonyms:
 hex-4-en-3-one
2-hexen-4-one
4-hexene-3-one
 hexene-3-one-4
 
 
Notes:
Flavouring ingredient
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