3-nonanone
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :nonan-3-one
InChI :InChI=1/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3
InChIKey :IYTXKIXETAELAV-UHFFFAOYAR
SMILES :CCCCCCC(=O)CC
(EINECS) number :213-125-2
cas number :925-78-0
beilstein number :1700447
fema number :3440
coe number :11160
jecfa number :294
fl. number :07.113
molar refractivity :43.77 ± 0.3 cm3
parachor :395.2 ± 4.0 cm3
index of refraction :1.416 ± 0.02
surface tension :26.5 ± 3.0 dyne/cm
density :0.816 ± 0.06 g/cm3
polarizability :17.35 ± 0.5 10-24cm3
xlogp : 3.00
molecular weight : 142.2386200
formula :C9 H18 O
 
 
export tariff code :2914.19.0000
fda reg :unspecified
 

Suppliers :
Bedoukian Research :ETHYL HEXYL KETONE
 ≥98.0%, Kosher
 
Cargill - Alfrebro :3-NONANONE
 natural, Kosher
 
Sigma-Aldrich-SAFC :3-Nonanone
 >96%, Kosher, FG
 
 

organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fresh sweet jasmin spicy leaf herbal fruity
substantivity :8  Hour(s)

properties :
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.81700 - 0.82300 @ 25.00 °C.
pounds per gallon - calc. : 6.798 to 6.848
refractive index :1.41500 - 1.42300 @ 20.00 °C.
boiling point : 187.00 - 188.00 °C. @ 760.00 mm Hg
boiling point : 80.00 °C. @ 20.00 mm Hg
acid value : 2.00  max.  KOH/g
logp : 2.71

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.12 (μg/capita/day)
  
flash point ( Deg. F. ) : 154.00  °F.  TCC  ( 67.78 °C. )
  
recommendation for 3-nonanone usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for 3-nonanone usage levels up to :
  20.0000 ppm in the flavor.
  

safety links :
(EINECS) number :213-125-2
chemidplus :000925780
epa-srs :925-78-0
  

other :
 

references :
jecfa number :294
fl. number :07.113
pubchem :197499
NIST Chemistry WebBook :3127660851
  
synonyms :
 ethyl hexyl ketone
 nonan-3-one
3-nonanone
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 acetaldehyde butyl phenethyl acetal
 acetaldehyde di-(Z)-3-hexen-1-yl acetal
 acetaldehyde ethyl phenethyl acetal
2-acetyl-2-thiazoline
 allyl anthranilate
isoamyl heptanoate
 basil absolute sweet
 benzyl formate
sec-butyl-3-methyl but-2-ene thioate
neocyclocitral
 galbanum oleoresin
 geranium absolute
2-heptanol
(Z)-3-hepten-1-ol
 heptyl cinnamate
 herbal heptane
(E)-2-hexen-1-al
2-hexen-1-al
3-hexen-1-al
(E)-2-hexen-1-ol
(Z)-2-hexen-1-ol
2-hexen-1-ol
3-hexen-1-ol
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl lactate
 hexoxyacetaldehyde dimethyl acetal
2-hexylidene cyclopentanone
(Z)-jasmone
 leafy acetal
 methyl heptine carbonate
3-methyl-3-pentanol
(E,Z)-2,6-nonadien-1-yl acetate
 octanal dimethyl acetal
(Z)-2-octen-1-al
(Z)-5-octen-1-yl propionate
 perillaldehyde
 petitgrain combava oil
 plectranthus glandulosus hook f. leaf oil cameroon
isopropyl phenyl propionaldehyde
 rose leaf absolute
 rosemary oleoresin
 styralyl acetate
(odor and/or flavor) used in :
 cheese
 dairy
 grass
 green
 herbal
 jasmin
 spice
natural occurrence in :
banana
beef cooked beef
passion fruit



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