1-octen-3-one
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :oct-1-en-3-one
InChI :InChI=1/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
InChIKey :KLTVSWGXIAYTHO-UHFFFAOYAV
SMILES :CCCCCC(=O)C=C
(EINECS) number :224-327-5
cas number :4312-99-6
fema number :3515
coe number :2312
jecfa number :1148
fl. number :07.081
molar refractivity :38.86 ± 0.3 cm3
parachor :344.4 ± 4.0 cm3
index of refraction :1.422 ± 0.02
surface tension :25.8 ± 3.0 dyne/cm
density :0.825 ± 0.06 g/cm3
polarizability :15.40 ± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 126.1961600
formula :C8 H14 O
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :mushroom
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
herbal mushroom earthy musty dirty
taste description³ :at 0.01 - 0.20 ppm.  
Intense creamy earthy mushroom with fishy and vegetative nuances
properties : 
appearence :colorless clear liquid
assay : 49.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.83600 - 0.84400 @ 25.00 °C.
pounds per gallon - calc. : 6.956 to 7.023
refractive index :1.43200 - 1.43900 @ 20.00 °C.
boiling point : 59.00 - 60.00 °C. @ 16.00 mm Hg
boiling point : 174.00 - 182.00 °C. @ 760.00 mm Hg
logp : 2.17
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 125.00  °F.  TCC  ( 51.67 °C. )
  
recommendation for 1-octen-3-one usage levels up to :
  0.5000 % in the fragrance concentrate.
  
recommendation for 1-octen-3-one usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :224-327-5
chemidplus :004312996
epa-srs :4312-99-6
  
other : 
 
references : 
pubchem :197613
NIST Chemistry WebBook :2446650068
  
reference : Mosciano, Gerard P&F 26, No. 5, 68, (2001)³
synonyms :
 amyl vinyl ketone
 oct-1-en-3-one
1-octen-3-one
 vinyl amyl ketone
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic fine fragrance, good
 antiperspirant, good
 fabric softener, good
 hypochlorite bleach, poor
 liquid detergent, fair
 perborate powder detergent, fair
 soap, good
 toiletry application, good
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 algae absolute
 amber carbinol
 ambroxan
alpha-amyl cinnamaldehyde
isoamyl salicylate
para-anisyl alcohol
 bay leaf oil
 benzyl acetate
 benzyl alcohol
 benzyl benzoate
 benzyl propionate
 benzyl salicylate
 bergamot oil
 blood orange oil
isobornyl acetate
laevo-bornyl acetate
isobutyl cinnamate
 caraway seed oil
 carrot seed oil
 cedarwood oils
 cinnamyl alcohol
 citronellol
 clary sage oil
 clover nitrile
 coriander seed oil
 costus valerolactone
para-cresyl caprylate
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
gamma-decalactone
 decanol
9-decen-1-ol
 decyl acetate
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dodecanol
2-ethyl fenchol
2-ethyl furan
4-ethyl guaiacol
 ethyl laurate
 ethylene brassylate
 floral pyranol
 galbanum oil
 gardenia oxide
 geraniol
 grapefruit pentanol
 guaiacol
 heliotropyl acetate
 heliotropyl diethyl acetal
gamma-heptalactone
gamma-hexalactone
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 ionones
isojasmone
 lavandin oil
 lavender absolute
 leerall
 lilyall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 maltol
 marine pyridine
 methyl dihydrojasmonate
 methyl heptine carbonate
 methyl ionones
 methyl phenyl acetate
 mimosa absolute
 muguet carboxaldehyde
 muguet octadienol
 nerol
 nerolidol
(E,Z)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-ol
gamma-nonalactone
 nonanal
 nonanol
(Z)-5-octen-1-ol
 orris pyridine
 patchouli ethanone
 patchouli oil
omega-pentadecalactone
 peony alcohol
 peppermint oil
 phenethyl acetate
 phenethyl alcohol
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 santall
alpha-terpineol
 tetrahydrolinalool
 thyme oil
 tuberose absolute
gamma-undecalactone
10-undecen-1-ol
10-undecen-1-yl acetate
 vanilla absolute
 verymoss
 violet decenol
 violet methyl carbonate
 watermelon ketone
 woody acetate
 woody amylene
(odor and/or flavor) used in :
 apple
 apple crabapple
 artichoke
 asparagus
 avocado
 balsam
 banana quana banana
 bean
 botanical
 cauliflower
 cheese
 chestnut blossom
 chicory root
 chypre
 clematis
 cloudberry bakeapple
 clover trefle le'trefle incarnat
 crab
 earth humus
 evergreen
 fern fougere
 fir needle
 fish
 floral
 fungus
 galbanum
 heather
 herbal
 jackfruit
 lavandin
 lavender
 meadow
 mushroom
 orchid
 outdoors natural outdoors
 parsnip
 pepper bell pepper
 privet blossom
 pumpkin
 rhubarb
 root
 shellfish
 soy sauce
 stephanotis
 tomato
 truffle
 tulip
 vegetable
natural occurrence in :
artichoke cooked artichoke
banana
beer
chicory root
clover
fish
milk
mushroom cooked mushroom
pea
peppermint oil
pork
shrimp
soya bean
spearmint oil
thyme oil



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