3-nonen-2-one
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IUPAC name :non-3-en-2-one
InChI :InChI=1/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3
InChIKey :HDKLIZDXVUCLHQ-UHFFFAOYAE
SMILES :CCCCCC=CC(=O)C
cas number :14309-57-0
(EINECS) number :238-248-9
fema number :3955
coe number :11163
jecfa number :1136
fl. number :07.188
molar refractivity :43.83 ± 0.3 cm3
parachor :382.4 ± 4.0 cm3
index of refraction :1.435 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.835 ± 0.06 g/cm3
polarizability :17.37 ± 0.5 10-24cm3
XlogP : 3.10
molecular weight : 140.2227400 (IUPAC)
formula :C9 H16 O
NMR Predictor :Predict
 
 
IUPAC name :(E)-non-3-en-2-one
InChI :InChI=1/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey :HDKLIZDXVUCLHQ-BQYQJAHWBQ
SMILES :CCCCC\C=C\C(=O)C
cas number :18402-83-0
molar refractivity :43.83 ± 0.3 cm3
parachor :382.4 ± 4.0 cm3
index of refraction :1.435 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.835 ± 0.06 g/cm3
polarizability :17.37 ± 0.5 10-24cm3
XlogP : 3.10
molecular weight : 140.2227400 (IUPAC)
formula :C9 H16 O
NMR Predictor :Predict
 
 
IUPAC name :(Z)-non-3-en-2-one
InChI :InChI=1/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7-
InChIKey :HDKLIZDXVUCLHQ-FPLPWBNLBW
SMILES :CCCCC\C=C/C(=O)C
cas number :14309-57-0  (Z)
molar refractivity :43.83 ± 0.3 cm3
parachor :382.4 ± 4.0 cm3
index of refraction :1.435 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.835 ± 0.06 g/cm3
polarizability :17.37 ± 0.5 10-24cm3
XlogP : 3.10
molecular weight : 140.2227400 (IUPAC)
formula :C9 H16 O
NMR Predictor :Predict
 
 
export tariff code :2914.19.0000
fda reg :unspecified
Suppliers :
Bedoukian Research :3-NONEN-2-ONE
≥95.0%, Kosher
Odor:  pleasant fruity
Used in berry and fruit fragrances.
Flavor:  fruity
Used in berry and fruit flavors.
Fontarome :3-NONEN 2 ONE
Odor:  Diffusive powdery brandy, with mushroom undertone
Penta :3-nonen-2-one
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		fruity berry
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84300 to 0.85200 @ 25.00 °C.
pounds per gallon - calc. : 7.015 to 7.089
refractive index :1.44300 to 1.45200 @ 20.00 °C.
boiling point : 198.00 °C. @ 760.00 mm Hg
acid value : 2.00  max.  KOH/g
vapor pressure :0.79400 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 175.00  °F.  TCC  ( 79.44 °C. )
logP (o/w) : 2.69
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for 3-nonen-2-one fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 
non-3-en-2-one
(EINECS) number :238-248-9
chemidplus :014309570
EPA Substance Registry Services :14309-57-0
 
 
 
(E)-non-3-en-2-one
chemidplus :018402830
EPA Substance Registry Services :18402-83-0
 
(Z)-non-3-en-2-one
references :
 
non-3-en-2-one
fl. number :07.188
jecfa number :1136
NIST Chemistry WebBook :14309570
pubchem :169335
 
(E)-non-3-en-2-one
NIST Chemistry WebBook :3934246644
pubchem :754192
 
(Z)-non-3-en-2-one
NIST Chemistry WebBook :1378205529
pubchem :10547247
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 non-3-en-2-one
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 allyl tiglateFL
 ambrette seed absoluteFL/FR
delta6-isoambrettolideFL/FR
3-benzyl-4-heptanoneFL/FR
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
 butyl hexanoateFL/FR
alpha-damasconeFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 3-oxohexanoateFL
 ethyl methyl-para-tolyl glycidateFL/FR
 furfuryl isovalerateFL
 heliotropyl isobutyrateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
beta-iononeFL/FR
beta-ionone epoxideFL/FR
 maltyl isobutyrateFL/FR
dextro,laevo-menthyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl furfuryl disulfideFL
 nerolin fragarolFL/FR
(E)-2-octen-1-yl butyrateFL/FR
(E)-2-octen-4-olFL
 osmanthus absoluteFL/FR
isopropenyl acetateFL/FR
 propyl formateFL/FR
 rose carboxylateFR
 styralyl butyrateFL/FR
 thiogeraniolFL/FR
 vanilla carboxylateFL/FR
potential uses :
 berry
 blackberry
 blueberry
 fruit
 raspberry
 strawberry
natural occurrence in :    note
 found in nature  

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