3-decanone
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :decan-3-one
InChI :InChI=1/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3
InChIKey :XJLDYKIEURAVBW-UHFFFAOYAI
SMILES :CCCCCCCC(=O)CC
(EINECS) number :213-183-9
cas number :928-80-3
beilstein number :1748021
fema number :3966
coe number :11056
jecfa number :1118
fl. number :07.151
molar refractivity :48.40 ± 0.3 cm3
parachor :435.0 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :27.0 ± 3.0 dyne/cm
density :0.819 ± 0.06 g/cm3
polarizability :19.19 ± 0.5 10-24cm3
xlogp : 3.50
molecular weight : 156.2652000
formula :C10 H20 O
 
 
fda reg :unspecified h. number :2914.10
organoleptics : 
odor type :waxy
odor strength :medium
odor description :
at 100.00 %.  
waxy fruity citrus orange floral green
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.81900 - 0.82900 @ 25.00 °C.
pounds per gallon - calc. : 6.815 to 6.898
refractive index :1.42200 - 1.43200 @ 20.00 °C.
melting point : 2.00 - 2.50 °C. @ 760.00 mm Hg
boiling point : 203.00 - 204.00 °C. @ 760.00 mm Hg
logp : 3.56
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI) :3.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 145.00  °F.  TCC  ( 62.78 °C. )
  
recommendation for 3-decanone usage levels up to :
  1.0000 % 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).
publication number : 20.
3966 average usual ppmaverage maximum ppm
baked goods : 8.0000015.00000
beverages(nonalcoholic) : 5.0000010.00000
beverages(alcoholic) : 5.0000010.00000
breakfast cereal : --
cheese : --
chewing gum : 30.0000060.00000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 6.0000012.00000
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 8.0000015.00000
imitation dairy : 6.0000012.00000
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : --
soups : --
sugar substitutes : --
sweet sauces : --
safety links : 
(EINECS) number :213-183-9
chemidplus :000928803
epa-srs :928-80-3
  
other : 
 
references : 
jecfa number :1118
fl. number :07.151
pubchem :156914
NIST Chemistry WebBook :3496888694
  
synonyms :
 decan-3-one
3-decanone
 ethyl heptyl ketone
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl heptanoate
 allyl nonanoate
 allyl octanoate
isoamyl isobutyrate
 bitter orange oil
 blood orange oil
 blood orange oil (citrus sinensis l. var. sanguinello) italy
 blood orange oil (citrus sinensis l. var. tarocco) italy
 cardamom liquid resin
2,4-decadien-1-al
(Z)-4-decen-1-al
4-decen-1-al
(Z)-4-decen-1-al diethyl acetal
(Z)-4-decen-1-ol
 decyl butyrate
(E,E)-2,4-dodecadien-1-ol
 dodecane nitrile
 ethyl (E)-2-decenoate
 ethyl (E)-4-decenoate
 ethyl decanoate
 ethyl palmitate
 ethyl undecylenate
1-furfuryl pyrrole
(E)-geranyl acetone
 geranyl hexanoate
3-hexanone
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl propionate
 hexyl 2-methyl butyrate
 hexyl phenyl acetate
 jasmin absolute
 mandarin oil italy
 methyl 2-undecynoate
 methyl 2,4-decadienoate
 methyl butyl phenyl acetate
 methyl citronellate
 methyl undecanoate
2-nonanol
(E)-2-nonen-1-yl acetate
 nootkatone
 octanal
 octanal glycol acetal
(E)-2-octen-1-yl acetate
(E)-2-octen-1-yl butyrate
 octyl 2-methyl butyrate
 orange fruit oil
 orange oil
 orange oil bitter
 orange oil terpeneless
 orange peel oil bitter china
 orange peel oil bitter italy
 orange peel oil bitter terpeneless
 orange peel oil sweet c.p. california
 orange peel oil sweet c.p. china
 orange peel oil sweet c.p. egypt
 orange peel oil sweet c.p. florida
 orange peel oil sweet c.p. valencia
 orange peel oil sweet distilled
 phytyl acetate
alpha-sinensal
 tangerine oil
(E)-2-tridecen-1-yl acetate
2-undecanone
(E)-2-undecen-1-al
(odor and/or flavor) used in :
 beeswax cire d'abeille
 citrus
 fruit
 rose
 sandalwood
 waxy
 woody
natural occurrence in :
banana
butter heated butter
lemon oil
mushroom
shrimp cooked shrimp



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2008 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 08/14/2008