dimethyl alpha-ionone
organoleptics  properties  safety  references    FEMA Index    Home Page
 
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IUPAC name :(E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one
InChI :InChI=1/C15H24O/c1-6-14(16)12(3)10-13-11(2)8-7-9-15(13,4)5/h8,10,13H,6-7,9H2,1-5H3
InChIKey :UNAJREJGSQDJGU-ZRDIBKRKBD
SMILES :CCC(=O)/C(=C/C1C(=CCCC1(C)C)C)/C
cas number :72117-72-7
beilstein number :2616019
molar refractivity :70.81 ± 0.3 cm3
parachor :568.4 ± 6.0 cm3
index of refraction :1.505 ± 0.02
surface tension :32.2 ± 3.0 dyne/cm
density :0.924 ± 0.06 g/cm3
polarizability :28.07 ± 0.5 10-24cm3
XlogP : 4.50
molecular weight : 220.3504600 (IUPAC)
formula :C15 H24 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description¹ :
at 10.00 % in dipropylene glycol.  		floral violet sweet powdery woody
odor sample from :Fritzsche Dodge & Olcott, Inc.
substantivity :96  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 302.00 to 303.00 °C. @ 760.00 mm Hg
flash point : 269.00  °F.  TCC  ( 131.67 °C. )
logP (o/w) : 4.94
shelf life : 12.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
IFRA other specification :<= 2% Pseudomethylionone
recommendation for dimethyl alpha-ionone fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
(E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one
chemidplus :072117727
EPA Substance Registry Services :72117-72-7
references :
 
(E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one
pubchem :743686
other :
reference : Luebke, William tgsc, (1987)¹
synonyms :
alpha-cyclocitrylidene-4-methyl butan-3-one
1,3-dimethyl-alpha-ionone
(E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl) pent-1-en-3-one
(E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one
2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-penten-3-one
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-1-penten-3-one
soluble in :
 alcohol
insoluble in :
 water
potential blenders :
 acetaldehyde ethyl phenethyl acetalFL/FR
 allyl amyl glycolateFR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFR
para-anisaldehydeFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl cinnamateFL/FR
 benzyl propionateFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
isobutyl salicylateFL/FR
 cedarwood oils 
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 clary sage oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
gamma-decalactoneFL/FR
 decanolFL/FR
9-decen-1-olFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl vanillinFL/FR
 floral pyranolFR
 geraniolFL/FR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 heliotropinFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 longifoleneFL/FR
 marine pyridineFR
 methyl acetophenoneFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptine carbonateFL/FR
 methyl ionones 
 methyl octine carbonateFL/FR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 musks 
 nerolFL/FR
 nonanalFL/FR
 nonanolFL/FR
 ocean propanalFL/FR
 orris pyridineFL/FR
 patchouli ethanoneFR
 peony alcoholFR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 santallFR
 strawberry glycidate 1FL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR
 woody acetateFR
 woody amyleneFR
potential uses :
 amber
 banana
 blueberry
 bouquet
 boxwood
 boysenberry
 broom genet genista
 burberry
 butterscotch
 cedar forest
 cherry black cherry
 clover trefle le'trefle incarnat
 cream soda
 cucumber
 dillenia
 fern fougere
 fir balsam
 floral
 freesia
 fruit tropical fruit
 gooseberry
 grass sweet grass
 hibiscus
 honeysuckle chevrefeuille
 huckleberry bilberry
 incense
 iris blossom
 jonquil narcissus jonquilla
 kiwi blossom
 leaf autumn leaf
 lily
 loganberry dewberry
 lotus
 magnolia
 mango
 mango blossom
 meadow
 millefleurs
 muguet lily of the valley
 mulberry
 musk
 oriental
 orris iris
 pansy
 passion blossom
 peony
 petunia
 plum
 plum blossom
 powder
 quince
 raspberry
 reseda mignonette
 rose
 stock evening scented stock
 sweet pea pois de senteur
 tropical
 tuberose tubereuse
 vanilla
 violet
 woody
natural occurrence in :
 not found in nature  



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