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

4-octen-3-one
oct-4-en-3-one

Supplier Sponsors

Name:oct-4-en-3-one
CAS Number: 14129-48-7Picture of molecule3D/inchi
FDA UNII:5Q55OU7FEN
XlogP3-AA:2.20 (est)
Molecular Weight:126.19878000
Formula:C8 H14 O
NMR Predictor:Predict (works with chrome or firefox)
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
JECFA Food Flavoring:1843 (E,Z)-4-octen-3-one
FEMA Number:4328 4-octen-3-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 4-OCTEN-3-ONE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84000 to 0.84400 @ 25.00 °C.
Pounds per Gallon - (est).: 6.990 to 7.023
Refractive Index:1.44200 to 1.44800 @ 20.00 °C.
Boiling Point: 180.00 to 181.00 °C. @ 760.00 mm Hg
Boiling Point: 77.00 to 79.00 °C. @ 20.00 mm Hg
Vapor Pressure:0.897000 mm/Hg @ 25.00 °C. (est)
Flash Point: 152.00 °F. TCC ( 66.67 °C. )
logP (o/w): 2.179 (est)
Soluble in:
 alcohol
 water, 1045 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: coconut
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
coconut fruity
Odor Description:at 1.00 % in dipropylene glycol. coconut fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
4-Octen-3-one
BOC Sciences
For experimental / research use only.
Oct-4-en-3-one
Parchem
4-octen-3-one
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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: flavoring agents
Recommendation for 4-octen-3-one usage levels up to:
 not for fragrance use.
 
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: 23
 average usual ppmaverage maximum ppm
baked goods: 1.000005.00000
beverages(nonalcoholic): 1.000005.00000
beverages(alcoholic): 2.0000010.00000
breakfast cereal: 1.000005.00000
cheese: --
chewing gum: 2.0000020.00000
condiments / relishes: 1.000005.00000
confectionery froastings: 1.000005.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.000005.00000
fruit ices: 1.000005.00000
gelatins / puddings: 1.000005.00000
granulated sugar: --
gravies: --
hard candy: 2.0000010.00000
imitation dairy: --
instant coffee / tea: 2.0000020.00000
jams / jellies: 1.000005.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: 1.000005.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 100.000001000.00000
snack foods: 1.000005.00000
soft candy: 1.000005.00000
soups: --
sugar substitutes: --
sweet sauces: 1.000005.00000
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):14129-48-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :84216
National Institute of Allergy and Infectious Diseases:Data
oct-4-en-3-one
Chemidplus:0014129487
 
References:
 oct-4-en-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):84216
Pubchem (sid):135039812
 
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):HMDB32451
FooDB:FDB009961
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
costus valerolactone
FR
cheesy
2-
heptanone
FL/FR
coconut
coconut decanone methyl
FR
coconut naphthalenone
FL/FR
delta-
decalactone
FL/FR
delta-2-
dodecenolactone
FL/FR
delta-
heptalactone
FL/FR
gamma-
heptalactone
FL/FR
hexahydrocoumarin
CS
delta-
nonalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
delta-
octalactone
FL/FR
gamma-
octalactone
FL/FR
propyl octanoate
FL/FR
tetrahydrojasmone
FR
delta-
undecalactone
FL/FR
wine lactone
FL/FR
coumarinic
phthalide
FL/FR
creamy
creamy lactone
FL/FR
fatty
lauric acid
FL/FR
floral
dihydrojasmone lactone
FL/FR
heliotropin
FL/FR
hexenyl cyclopentanone
FR
jasmin lactone (IFF)
FL/FR
2-
pentyl cyclopentanone
FR
fruity
amyl heptanoate
FL/FR
iso
amyl octanoate
FL/FR
gamma-
decalactone
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
methyl (Z)-5-octenoate
FL/FR
iso
propyl octanoate
FL/FR
green
alpha-
decalactone
FL/FR
soapy
ethyl undecanoate
FL/FR
spicy
methyl heptadienone
FL/FR
tonka
6-
amyl-alpha-pyrone
FL/FR
gamma-
hexalactone
FL/FR
7-
methyl coumarin
CS
mint lactone
FL/FR
whiskey lactone
FL/FR
tropical
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
waxy
1-
dodecanol
FL/FR
methyl laurate
FL/FR
myristyl alcohol
FL/FR
2-
tridecanone
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
coconut naphthalenone
FL/FR
alpha-
decalactone
FL/FR
dimethyl benzofuranone
FL
delta-2-
dodecenolactone
FL/FR
jasmin lactone (IFF)
FL/FR
lauric acid
FL/FR
massoia bark oil
FL
myristyl alcohol
FL/FR
propyl octanoate
FL/FR
(R)-
tonka furanone
FL
wine lactone
FL/FR
cheesy
cheesy
2-
heptanone
FL/FR
cherry
heliotropin
FL/FR
coconut
delta-
decalactone
FL/FR
(R)-
massoia lactone
FL
6-
methyl coumarin
FL
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
delta-
octalactone
FL/FR
coumarinic
phthalide
FL/FR
creamy
6-
amyl-alpha-pyrone
FL/FR
creamy lactone
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
gamma-
hexalactone
FL/FR
mint lactone
FL/FR
delta-
nonalactone
FL/FR
delta-
undecalactone
FL/FR
dairy
methyl (Z)-5-octenoate
FL/FR
fatty
2-
tridecanone
FL/FR
fruity
amyl heptanoate
FL/FR
iso
amyl octanoate
FL/FR
gamma-
decalactone
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
iso
propyl octanoate
FL/FR
green
methyl heptadienone
FL/FR
lactonic
gamma-
heptalactone
FL/FR
delta-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
soapy
1-
dodecanol
FL/FR
waxy
dihydrojasmone lactone
FL/FR
ethyl undecanoate
FL/FR
methyl laurate
FL/FR
undecanoic acid
FL/FR
woody
whiskey lactone
FL/FR
 
Potential Uses:
FLcoconut
 coconut tropical coconut
FRdeertongue absolute replacer
FLfig
FRflouve
 flouve blossom
FRgreen grass
FRhay new mown hay
FL/FRimmortelle
 leaf autumn leaf
FLpina colada
 straw
FRtobacco
FRtobacco
FRtobacco flower
FRtonka bean
 wet fields
 
Occurrence (nature, food, other):note
 melissa oil slovak republic @ 0.18%
Data GC Search Trop Picture
 
Synonyms:
 oct-4-en-3-one
(E,Z)-4-octen-3-one
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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