3-nonanone
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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
cas number :925-78-0
(EINECS) number :213-125-2
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
NMR Predictor :Predict
 
 
export tariff code :2914.19.0000
fda reg :unspecified

Suppliers :
Cargill - Alfrebro :3-NONANONE
natural, Kosher
Penta :3-nonanone
Sigma-Aldrich-SAFC :3-Nonanone
>96%, Kosher, FG
Odor:  cheese; herbaceous; fruity; green

organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
fresh sweet jasmin spicy leaf herbal fruity
odor sample from :Bedoukian Research, Inc.
substantivity :8  Hour(s)

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.81700 to 0.82300 @ 25.00 °C.
pounds per gallon - calc. : 6.798 to 6.848
refractive index :1.41500 to 1.42300 @ 20.00 °C.
boiling point : 187.00 to 188.00 °C. @ 760.00 mm Hg
boiling point : 80.00 °C. @ 20.00 mm Hg
acid value : 2.00  max.  KOH/g
vapor pressure :0.20000 mm/Hg @ 20.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 154.00  °F.  TCC  ( 67.78 °C. )
logP (o/w) : 2.71

safety :
most important hazard(s) :Xi - Irritant
  R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
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 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.12 (μg/capita/day)
 
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 references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 nonan-3-one
(EINECS) number :213-125-2
chemidplus :000925780
EPA Substance Registry Services :925-78-0

references :
 nonan-3-one
fl. number :07.113
jecfa number :294
NIST Chemistry WebBook :3127660851
pubchem :197499

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1988)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 ethyl hexyl ketone
 nonan-3-one

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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