2-nonanone
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IUPAC name :nonan-2-one
InChI :InChI=1/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
InChIKey :VKCYHJWLYTUGCC-UHFFFAOYAE
SMILES :CCCCCCCC(=O)C
cas number :821-55-6
(EINECS) number :212-480-0
beilstein number :1743645
fema number :2785
coe number :154
jecfa number :292
fl. number :07.020
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 : 3.30
molecular weight : 142.2386200
formula :C9 H18 O
BioActivity Analysis :48415317
NMR Predictor :Predict
 
 
export tariff code :2914.19.0000
fda reg :172.515
Suppliers :
Advanced Biotech :2-nonanone
98% min. natural
Odor:  Rose, Tea
Apple :2-Nonanone
Bedoukian Research :METHYL HEPTYL KETONE
≥98.0%, FCC, Kosher
Odor:  fresh sweet, weedy, earthy, herbal
Cargill - Alfrebro :METHYL HEPTYL KETONE
natural, Kosher
Fleurchem :methyl heptyl ketone
natural
Fontarome :METHYL HEPTYL KETONE
Odor:  Fruity-floral, slightly fatty and herbaceous
Gainworld :2-nonanone
IFF :Nonan-2-One
natural, Kosher
Odor:  Creamy, Fatty, Cheesy, Fruity, Floral
Inoue :HEPTYL METHYL KETONE
Mooreganics :2-Nonanone (Methyl Heptyl Ketone)
Natural (Organic Compliant)
Penta :2-nonanone
Penta :2-nonanone
natural
Sigma-Aldrich-SAFC :2-Nonanone
≥99%
Odor:  cheese; coconut; oily; herbaceous; floral; fruity; fatty; soapy; waxy; fishy
Sigma-Aldrich-SAFC :2-Nonanone
≥97%, natural, FCC, Kosher
Odor:  cheese; coconut; oily; herbaceous; floral; fruity; fatty; soapy; waxy; fishy
organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  		fresh sweet green weedy earthy herbal
substantivity :4  Hour(s)
properties :
appearence :colorless to pale yellow clear oily liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.81700 to 0.82300 @ 25.00 °C.
pounds per gallon - calc. : 6.798 to 6.848
refractive index :1.41800 to 1.42300 @ 20.00 °C.
melting point : -21.00 °C. @ 760.00 mm Hg
boiling point : 192.00 °C. @ 743.00 mm Hg
boiling point : 194.00 to 196.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.62400 mm/Hg @ 25.00 °C.
flash point : 148.00  °F.  TCC  ( 64.44 °C. )
logP (o/w) : 3.14
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and 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) :
  Oral-Rat    3200.00  mg/kg
(RTECS, 1975)

Oral-Mouse   [sex: M]  7992.00  mg/kg
(Tanii et al., 1986)

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 393, 1988.

Inhalation Toxicity(LC50) :
  Inhalation-Rat  >3980.00  mg/m3/6H
  
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :320.00 (μg/capita/day)
 
recommendation for 2-nonanone usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for 2-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
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 nonan-2-one
(EINECS) number :212-480-0
RTECS :RA8225000 for 821-55-6
chemidplus :000821556
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :821-55-6
dtp/nci :14760
references :
 nonan-2-one
fl. number :07.020
jecfa number :292
NIST Chemistry WebBook :455974037
pubchem :156539
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 heptyl methyl ketone
 methyl heptyl ketone
 nonan-2-one
beta-nonanone
soluble in :
 alcohol
 dipropylene glycol
 water, 371 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
 allyl heptanoate
 allyl nonanoate
 allyl octanoate
alpha-amyl cinnamyl formate
isoamyl isobutyrate
 basil absolute sweet
 benzyl laurate
isobutyl angelate
 butyl laurate
isobutyl quinoline
 cajuput oil vietnam
alpha-campholenic aldehyde
 chamomile oil
(-)-cubenol
isocyclogeraniol
 decanal diethyl acetal
3-decanone
(Z)-4-decen-1-ol
9-decenoic acid
 decyl butyrate
 dihydrojasmone lactone
 dill weed oil
 dill weed oil cuba
 dill weed oil reunion
 dimethyl benzyl carbinyl formate
2,4-dimethyl-3-cyclohexene-1-methanol
 dipentene terpene hydrocarbon byproducts
(E,E)-2,4-dodecadien-1-ol
 dodecanal
 dodecanol
 ethyl (E)-2-decenoate
 ethyl (E)-4-decenoate
 ethyl decanoate
 ethyl palmitate
 ethyl undecanoate
 ethyl undecylenate
1-furfuryl pyrrole
(E)-geranyl acetone
 geranyl hexanoate
 heptanol
 herbal heptane
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-furoate
 hexyl 2-methyl butyrate
 hexyl butyrate
 hexyl hexanoate
 hexyl phenyl acetate
 hop absolute
 hop oil
 hydroxycitronellal dimethyl acetal
 linalyl octanoate
 methyl 2-undecynoate
 methyl 2,4-decadienoate
 methyl butyl phenyl acetate
 methyl citronellate
(E)-methyl geranate
2-methyl heptanoic acid
 methyl laurate
 methyl octanoate
 methyl undecanoate
 neryl formate
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
2-nonanol
(E)-2-nonen-1-ol
(Z)-3-nonen-1-ol
(Z)-6-nonen-1-ol
(E)-2-nonen-1-yl acetate
 octanol
(E)-2-octen-1-al
(E)-2-octen-1-yl acetate
(E)-2-octen-1-yl butyrate
 octyl 2-methyl butyrate
 octyl butyrate
 octyl isobutyrate
 phenethyl octanoate
isophytol
 phytyl acetate
 reseda absolute
(E)-2-tetradecen-1-al
 theaspirane
 treemoss absolute
 tricyclodecyl acetate
(E)-2-tridecen-1-yl acetate
 undecanal
2-undecanone
 wormwood oil
(odor and/or flavor) used in :
 ash mountain ash
 butter
 carnation dianthus oeillet
 cheese cheddar cheese
 clove
 coconut
 earth humus
 fat
 green
 herbal
 lavender
 pineapple
 rose
 rose tea rose
 rue
 strawberry
natural occurrence in :
beer
data pageboldo leaf oil italy @ 0.10%
data pageboldus leaf oil chile @ 0.04%
butter
carnation
data pagecascarilla bark oil @ 0.18%
data pagechampaca concrete @ 0.02%
cheese bleu cheese
cheese cheddar cheese
cheese gorgonzola cheese
coconut
data pagecurcuma amada roxb. rhizome oil india @ 0.10%
fish
data pagekachur oil @ 0.30%
krill
data pagelaurel leaf oil turkey @ trace%
data pagemastic fruit oil @ 0.14%
data pagemastic leaf oil @ 1.71%
potato chip
rice cooked rice
data pagerue flower oil colombia @ 16.82%
data pagerue oil china @ 24.12%
data pagerue oil cuba @ 0.62%
rue plant
strawberry
data pagesugandha kokila berry oil @ 1.90%



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