dimethyl alpha-ionone
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-1-penten-3-one
 
Notes:
None found
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Perfecting the Art of Chemistry
      Working closely with our customers to meet their requirements.
      Dr. Paul Bedoukian founded the company in 1972 to fill a niche as a supplier of high quality specialty aroma molecules. Today, we offer more than 350 high impact aroma chemicals, while providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
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      Product(s):
      470B DIMETHYL IONONE
      More floral than gamma-methyl ionone. Diffusive orris character is less woody. Excellent performer in all product types.
       
       
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CAS Number: 72117-72-7Picture of molecule3D/inchi
Nikkaji Web: J69.505J
Beilstein Number: 2616019
XlogP3-AA: 3.80 (est)
Molecular Weight: 220.35548000
Formula: C15 H24 O
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 90.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 302.00 to  303.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 269.00 °F. TCC ( 131.67 °C. )
logP (o/w): 4.588 (est)
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.
Soluble in:
 alcohol
 water, 0.9577 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
Substantivity: 96 hour(s) at 100.00 %
 
 floral  violet  sweet  powdery  woody  
Odor Description:
at 10.00 % in dipropylene glycol. 
floral violet sweet powdery woody
Luebke, William tgsc, (1987)
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
DIMETHYL IONONE
Odor Description: powdery, woody, wonderful orris-violet
More floral than gamma-methyl ionone. Diffusive orris character is less woody. Excellent performer in all product types.
 
 
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Cosmetic Information:
None found
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Suppliers:
Bedoukian Research
DIMETHYL IONONE
Odor: powdery, woody, wonderful orris-violet
Use: More floral than gamma-methyl ionone. Diffusive orris character is less woody. Excellent performer in all product types.
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Safety Information:
European information :
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.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Other Specification: <= 2% Pseudomethylionone
Recommendation for dimethyl alpha-ionone usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for dimethyl alpha-ionone flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 72117-72-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6441344
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 (E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one
Chemidplus: 0072117727
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References:
 (E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 72117-72-7
Pubchem (cid): 6441344
Pubchem (sid): 135122210
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 nonanal (aldehyde C-9)FL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
amber
 amber oxepinFR
anisic
para-anisaldehydeFL/FR
para-anisyl phenyl acetateFL/FR
balsamic
 amyris wood oilFL/FR
siam benzoin resinFL/FR
siam benzoin resinoidFL/FR
 benzyl cinnamateFL/FR
isobutyl cinnamateFL/FR
 cinnamyl alcoholFL/FR
 clover nitrileFR
 ethyl cinnamateFL/FR
 guaiacyl phenyl acetateFL/FR
 methyl (E)-cinnamateFL/FR
3-phenyl propyl alcoholFL/FR
berry
 raspberry ketoneFL/FR
 raspberry ketone methyl etherFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
creamy
 veratraldehydeFL/FR
fatty
 decanolFL/FR
floral
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 bois de rose oil brazilFL/FR
isobutyl salicylateFL/FR
 cassie absoluteFL/FR
 cassie concreteFR
 citronellolFL/FR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
9-decen-1-olFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 floral pyranolFR
 geraniolFL/FR
 heliotropinFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
alpha-ionolFL/FR
beta-ionolFL/FR
alpha-iononeFL/FR
alpha-ionyl acetateFR
beta-ironeFL/FR
alpha-ironeFL/FR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
para-methyl acetophenoneFL/FR
 methyl dihydrojasmonateFL/FR
N-methyl iononeFR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 mimosa absolute franceFL/FR
 muguet carboxaldehydeFR
 nerolFL/FR
 nonanolFL/FR
 ocean propanalFL/FR
 orris pyridine 25% IPMFR
 peony alcoholFR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 tetrahydroionolFR
 tetrahydrolinaloolFL/FR
 tobacco flower absoluteFR
 violet methyl carbonateFR
fruity
 allyl amyl glycolateFR
 benzaldehydeFL/FR
 benzyl propionateFL/FR
(E)-alpha-damasconeFL/FR
(E)-beta-damasconeFL/FR
gamma-decalactoneFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
 hexen-1-yl oxypropane nitrileFR
 methyl heptine carbonateFL/FR
 methyl octine carbonateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
 violet leaf absoluteFL/FR
hay
 beeswax absoluteFL/FR
herbal
 clary sage oil franceFL/FR
 linalyl acetateFL/FR
marine
 marine pyridineFR
melon
 watermelon ketoneFR
mossy
 veramoss (IFF)FR
musk
3-methyl-6-cyclohexadecen-1-oneFR
 musk etherFR
powdery
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
smoky
2,6-dimethoxyphenolFL/FR
spicy
 nutmeg oilFL/FR
terpenic
alpha-terpineolFL/FR
tonka
 tonka bean absoluteFR
vanilla
 ethyl vanillinFL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanillyl acetateFL/FR
waxy
 ethyl laurateFL/FR
 orris rhizome oil CO2 extractFL/FR
woody
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 longifoleneFL/FR
 patchouli ethanoneFR
 sandal pentenoneFR
 santallFR
 santalyl acetateFL/FR
 timber propanolFR
 tobacarol (IFF)FR
1-(5',5',6'-trimethyl bicyclo(2.2.1)hept-2'-yl) propan-2-oneFR
4,6,11-trimethyl-5-oxatricyclo(6.2.2.0*4,9*)dodec-6-eneFR
 vetiveryl acetateFL/FR
 violet propanolFR
 woody acetateFR
(Z)-woody amyleneFR
 woody dioxolaneFR
 woody epoxideFR
 
For Flavor
 
No flavor group found for these
 methyl (E)-cinnamateFL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
 vetiveryl acetateFL/FR
aldehydic
 nonanal (aldehyde C-9)FL/FR
anisic
para-anisyl phenyl acetateFL/FR
balsamic
siam benzoin resinFL/FR
siam benzoin resinoidFL/FR
isobutyl cinnamateFL/FR
 ethyl cinnamateFL/FR
berry
 raspberry ketoneFL/FR
 raspberry ketone methyl etherFL/FR
brown
 beeswax absoluteFL/FR
cherry
 heliotropinFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
laevo-linaloolFL/FR
 linaloolFL/FR
 nerolFL/FR
alpha-terpineolFL/FR
cooling
isobutyl salicylateFL/FR
creamy
para-anisaldehydeFL/FR
para-methyl acetophenoneFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
 veratraldehydeFL/FR
fatty
(Z)-3-hexen-1-yl benzoateFL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
 bois de rose oil brazilFL/FR
 citronellolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geraniolFL/FR
beta-ionolFL/FR
alpha-iononeFL/FR
beta-ironeFL/FR
 linalyl acetateFL/FR
 methyl dihydrojasmonateFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
 rhodinolFL/FR
 tetrahydrolinaloolFL/FR
fruity
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 benzaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl propionateFL/FR
(E)-alpha-damasconeFL/FR
(E)-beta-damasconeFL/FR
gamma-decalactoneFL/FR
alpha-methyl iononeFL/FR
 rose butanoateFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
isoamyl salicylateFL/FR
 cinnamyl alcoholFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 linalool oxideFL/FR
 methyl heptine carbonateFL/FR
 methyl octine carbonateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
 violet leaf absoluteFL/FR
herbal
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
honey
 phenethyl phenyl acetateFL/FR
medicinal
2,6-dimethoxyphenolFL/FR
 dimethyl benzyl carbinolFL/FR
phenolic
 guaiacyl phenyl acetateFL/FR
spicy
 benzyl cinnamateFL/FR
 cassie absoluteFL/FR
 nutmeg oilFL/FR
3-phenyl propyl alcoholFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
vanilla
 ethyl vanillinFL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanillyl acetateFL/FR
waxy
 decanolFL/FR
9-decen-1-olFL/FR
 ethyl laurateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
 mimosa absolute franceFL/FR
 nonanolFL/FR
woody
 amyris wood oilFL/FR
 guaiacwood oilFL/FR
alpha-ionolFL/FR
alpha-ironeFL/FR
 longifoleneFL/FR
 methyl ionyl acetateFL/FR
 orris rhizome oil CO2 extractFL/FR
 santalyl acetateFL/FR
 
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Potential Uses:
 amberFR
 autumnFR
 bananaFR
 blueberryFR
 bouquetFR
 boxwoodFR
 boysenberryFR
 butterscotchFR
 cedar forestFR
 cherry black cherryFR
 cloverFR
 country meadowFR
 cucumberFR
 dilleniaFR
 fernFR
 fir balsamFR
 floralFR
 freesiaFR
 fruit tropical fruitFL
 genetFR
 gooseberryFR
 hibiscusFR
 honeysuckleFR
 huckleberryFR
 incenseFR
 iris blossomFR
 jonquilFR
 kiwi blossomFR
 lilyFR
 lily of the valleyFR
 loganberryFR
 lotusFR
 magnoliaFR
 mangoFR
 mango flowerFR
 millefleursFR
 mulberryFR
 muskFR
 orientalFR
 orrisFR
 pansyFR
 passion blossomFR
 peonyFR
 petuniaFR
 plumFR
 plum blossomFR
 powderFR
 quinceFR
 raspberryFR
 resedaFR
 roseFR
 scented stockFR
 soda cream sodaFL
 sweet grassFR
 sweet peaFR
 tropicalFL
 tuberoseFR
 vanillaFR
 violetFR
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
alpha-cyclocitrylidene-4-methyl butan-3-one
1,3-dimethyl-a-ionone
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-penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-
1-penten-3-one, 2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-1-penten-3-one
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