1-octen-3-one
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
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
cas number :4312-99-6
(EINECS) number :224-327-5
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 (IUPAC)
formula :C8 H14 O
pherobase :view
NMR Predictor :Predict
 
 
export tariff code :2914.19.0000
fda reg :unspecified
Suppliers :
Bedoukian Research :1-OCTEN-3-ONE (50% IN 1-OCTEN-3-OL)
≥49.0%, Kosher
Odor:  mushroom-like
Frutarom :1-OCTEN-3-ONE
≥98.00%, NI, Kosher
Odor:  Earthy, Herbal, Mushroom, Musty
Givaudan :1-Octen-3-one
≥97%, NI, Kosher
Odor:  Earthy,Mushroom
Penta :1-octen-3-one pure
Penta :1-octen-3-one
(50% in 1-octen-3-ol)
Penta :amyl vinyl ketone
Sigma-Aldrich-SAFC :1-Octen-3-one solution
50 wt. % in 1-octen-3-ol, Kosher, FG
Odor:  cucumber; mushroom; vegetable; earthy
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
odor description³ :
at 0.10 % in triacetin.  		Intense earthy, metallic, mushroom-like with vegetative nuances of cabbage and broccoli. It has minor savory notes of fish and chicken
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 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.83600 to 0.84400 @ 25.00 °C.
pounds per gallon - calc. : 6.956 to 7.023
refractive index :1.43200 to 1.43900 @ 20.00 °C.
boiling point : 59.00 to 60.00 °C. @ 16.00 mm Hg
boiling point : 174.00 to 182.00 °C. @ 760.00 mm Hg
vapor density :4.3 ( Air = 1 )
flash point : 125.00  °F.  TCC  ( 51.67 °C. )
logP (o/w) : 2.17
safety :
most important hazard(s) :Xn - Harmful.
  R 10 - Flammable.
R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
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    175.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  3300.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for 1-octen-3-one fragrance usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for 1-octen-3-one flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2810
 
WGK Germany :3
 
 
 
 
oct-1-en-3-one
(EINECS) number :224-327-5
chemidplus :004312996
EPA Substance Registry Services :4312-99-6
references :
 
oct-1-en-3-one
fl. number :07.081
jecfa number :1148
NIST Chemistry WebBook :2446650068
pubchem :197613
Flavornet :4312-99-6
other :
reference : Mosciano, Gerard P&F 26, No. 5, 68, (2001)³
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 amyl vinyl ketone
 oct-1-en-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
potential blenders :
 acetaldehyde ethyl phenethyl acetalFL/FR
 algae absoluteFR
 amber carbinolFR
 ambroxanFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
para-anisyl alcoholFL/FR
 bay leaf oilFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl benzoateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
(E)-benzyl tiglateFL/FR
 bergamot oilFL
 blood orange oilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
 caraway seed oilFL/FR
 carrot seed oilFL/FR
 cedarwood oils 
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 clary sage oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 cortex pyridineFL/FR
 costus valerolactoneFR
para-cresyl caprylateFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
gamma-decalactoneFL/FR
 decanolFL/FR
(E)-2-decen-1-alFL/FR
9-decen-1-olFL/FR
1-decen-3-olFL/FR
 decyl acetateFL/FR
 dibenzyl etherFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl sulfoxideFL
6,8-dimethyl-2-nonanolFR
 dodecanolFL/FR
2-ethyl fencholFL/FR
2-ethyl furanFL/FR
4-ethyl guaiacolFL/FR
 ethyl laurateFL/FR
2-ethyl-4,5-dimethyl oxazoleFL
 ethylene brassylateFL/FR
 floral pyranolFR
 galbanum oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 grapefruit pentanolFR
 guaiacolFL/FR
 heliotropyl acetateFL/FR
 heliotropyl diethyl acetalFL/FR
gamma-heptalactoneFL/FR
 herbal pyranFR
gamma-hexalactoneFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
isojasmoneFL/FR
 lavandin oilFL/FR
 lavender absoluteFL/FR
 leaf acetalFL/FR
 leerallFR
 lilyallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 maltolFL/FR
 marine pyridineFR
 melon acetalFL/FR
 methionalFL
 methyl 2-furoateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptine carbonateFL/FR
 methyl ionones 
 methyl laurateFL/FR
 methyl phenyl acetateFL/FR
tris(methyl thio) methaneFL/FR
1-(methyl thio)-2-butanoneFL
 methyl thiol isovalerateFL
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 muguet octadienolFR
2-naphthyl mercaptanFL
 nerolFL/FR
 nerolidolFL/FR
(E,Z)-2,6-nonadien-1-alFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
gamma-nonalactoneFL/FR
 nonanalFL/FR
 nonanolFL/FR
(Z)-3-nonen-1-olFL/FR
1-nonen-3-olFL/FR
 nonyl octanoateFL/FR
1,8-octane dithiolFL
3-octanolFL/FR
3-octanoneFL/FR
(Z)-5-octen-1-olFL/FR
3-octen-2-olFL/FR
(3R)-1-octen-3-olFL/FR
1-octen-3-yl butyrateFL/FR
2-octen-4-oneFL/FR
 octyl 2-furoateFL
 octyl acetateFL/FR
 octyl propionateFL/FR
 orris pyridineFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
omega-pentadecalactoneFL/FR
(E)-2-penten-1-olFL/FR
2-pentyl-1-buten-3-oneFL
 peony alcoholFR
 peppermint oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl butyl etherFR
 phenethyl furoateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
3-phenyl propyl alcoholFL/FR
4-isopropyl quinolineFL/FR
isopropyl quinolineFR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 santallFR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 thyme oilFL/FR
 tuberose absoluteFL/FR
gamma-undecalactoneFL/FR
10-undecen-1-olFL/FR
10-undecen-1-yl acetateFL/FR
 vanilla absoluteFL/FR
 verymossFR
 violet decenolFR
 violet methyl carbonateFR
 watermelon ketoneFR
 woody acetateFR
 woody amyleneFR
potential uses :
 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
 dairy
 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 S
 banana  
 beer  
 chicory root S
 clover  
 fish  
PbMdham  
 milk  
 mushroom cooked mushroom  
 pea  
 peppermint oil S
 pork  
PbMdrice cakes  
 shrimp  
 soya bean S
 spearmint oil S
 thyme oil S
PbMdyuzu peel oil S



information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 01/27/2010