4-octen-3-one
organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :oct-4-en-3-one
InChI :InChI=1/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3
InChIKey :JPTOCTSNXXKSSN-UHFFFAOYAL
SMILES :CCCC=CC(=O)CC
cas number :14129-48-7
fema number :4328
jecfa number :1843
molar refractivity :39.19 ± 0.3 cm3
parachor :342.7 ± 4.0 cm3
index of refraction :1.431 ± 0.02
surface tension :26.3 ± 3.0 dyne/cm
density :0.833 ± 0.06 g/cm3
polarizability :15.53 ± 0.5 10-24cm3
XlogP : 2.20
molecular weight : 126.1961600
formula :C8 H14 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor description :
coconut fruity
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84000 to 0.84400 @ 25.00 °C.
pounds per gallon - calc. : 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
flash point : 152.00  °F.  TCC  ( 66.67 °C. )
logP (o/w) : 2.16
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for 4-octen-3-one usage levels up to :
  0.6000 % in the fragrance concentrate.
 
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 on the "LIBRARY" link.
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 Chem. Sub. Inventory : Yes
 
 
 
 oct-4-en-3-one
chemidplus :014129487
EPA Substance Registry Services :14129-48-7
references :
 oct-4-en-3-one
jecfa number :1843
NIST Chemistry WebBook :14129487
pubchem :661120
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 oct-4-en-3-one
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 amyl heptanoate
isoamyl octanoate
6-amyl-alpha-pyrone
 coconut decanone
 coconut naphthalenone
 costus valerolactone
 creamy lactone
alpha-decalactone
delta-decalactone
gamma-decalactone
 dehydromenthofurolactone
5,5-dibutyl dihydrofuran-2(3H)-one
 dihydrojasmone lactone
 dimethyl benzofuranone
delta-dodecalactone
 dodecanol
delta-2-dodecenolactone
 ethyl undecanoate
 glyceryl 5-hydroxydecanoate
 glyceryl 5-hydroxydodecanoate
 heliotropin
delta-heptalactone
gamma-heptalactone
2-heptanone
 hexahydrocoumarin
gamma-hexalactone
 hexen-1-yl cyclopentanone
4-hydroxybenzyl alcohol
 jasmin lactone
 lauric acid
 massoia bark oil
 massoia lactone
 methyl (Z)-5-octenoate
6-methyl coumarin
7-methyl coumarin
 methyl heptadienone
 methyl laurate
 mint lactone
 myristyl alcohol
delta-nonalactone
gamma-nonalactone
delta-octalactone
gamma-octalactone
2-pentyl cyclopentanone
 phthalide
 propyl octanoate
isopropyl octanoate
 tetrahydrojasmone
2-tridecanone
delta-undecalactone
 undecanoic acid
 whiskey lactone
 wine lactone
(odor and/or flavor) used in :
 coconut
 coconut tropical coconut
 deertongue
 fig
 flouve
 flouve blossom
 grass sweet grass
 hay new mown hay foin coupe
 immortelle helichrysum everlasting
 leaf autumn leaf
 pina colada
 straw
 tobacco tabac tabaco
 tobacco tabac tabaco flower
 tobacco tabac tabaco leaf
 tonka
 wet fields
natural occurrence in :
data pagemelissa oil slovak republic @ 0.18%



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