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

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 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
For Flavor
No flavor group found for these
benzyl methyl sulfide
FL
S-(
methyl thio) hexanoate
FL
4,4'-
thiobis-2-butanone
FL
caramellic
caramellic
pyruvaldehyde
FL
corn chip
2-
acetyl-2-thiazoline
FL
eggy
iso
propyl mercaptan
FL
fatty
2,4-
octadien-1-ol
FL
fruity
tropical
fruit flavor
FL
2,4-
hexadien-1-ol
FL
kiwi flavor
FL
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
meaty
2-
methyl-3-tetrahydrofuran thiol
FL
sulfurous
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical
3-
mercaptohexyl butyrate
FL
psidium guajava fruit
FL
 
Potential Uses:
FLbutterscotch
FLcognac
FLhorseradish
FLrum
 savory
FLsavory
FLspice
 tropical
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
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy