4-dimethyl ionone
5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-4-penten-3-one
 
Notes:
Methyl ionone replacer.
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CAS Number: 68459-99-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 270-623-2
Nikkaji Web: J310.558J
XlogP3-AA: 4.00 (est)
Molecular Weight: 220.35548000
Formula: C15 H24 O
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: pale yellow clear liquid (est)
Assay: 90.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 296.00 to  298.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.001000 mmHg @ 25.00 °C. (est)
Flash Point: > 264.00 °F. TCC ( > 128.80 °C. ) (est)
logP (o/w): 4.523 (est)
Soluble in:
 alcohol
 water, 1.236 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
Substantivity: 128 hour(s) at 100.00 %
 
 sweet  floral  violet  woody  
Odor Description:
at 100.00 %. 
sweet floral violet woody
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
 None found
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 4-dimethyl ionone usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Recommendation for 4-dimethyl ionone flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 68459-99-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5376281
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 (E)-4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
Chemidplus: 0068459994
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References:
 (E)-4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 68459-99-4
Pubchem (cid): 5376281
Pubchem (sid): 135065719
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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
Export Tariff Code: 2914.23.0000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
animal
 animal carbolactoneFR
 costus valerolactoneFR
balsamic
 guaiacyl phenyl acetateFL/FR
berry
sec-butyl ethyl etherFL/FR
citrus
 citronelloneFR
 citrus woody floral fragranceFR
 myrcenyl acetateFL/FR
earthy
(Z)-linalool oxide (furanoid)FL/FR
floral
 boronia absoluteFL/FR
 cassie absoluteFL/FR
delta-damasconeFL/FR
 dihydro-alpha-iononeFL/FR
 dihydrojasmoneFL/FR
2',4'-dimethyl acetophenoneFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 elder flower wood specialtyFR
 heliotropyl acetoneFL/FR
alpha-iononeFL/FR
(E)-beta-iononeFL/FR
alpha-ionyl acetateFR
 iris specialtyFR
alpha-ironeFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 melaleuca ericifolia leaf oilFR
alpha-isomethyl ionone (60% min.)FL/FR
alpha-isomethyl ionone (70% min.)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
2-methyl naphthaleneFL/FR
 mimosa concrete franceFL/FR
 mimosa tenuiflora leaf extractFL/FR
 nerolidolFL/FR
bitter orangeflower concreteFR
 orris butenoneFR
 orris rhizome absolute (iris germanica)FL/FR
 orris rhizome absolute (iris pallida)FL/FR
 orris rhizome absolute replacerFR
 orris rhizome oil (iris germanica)FL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 petitgrain cedrat oilFL/FR
 petitgrain oil terpenesFR
 phenethyl hexanoateFL/FR
 rose concrete (rosa centifolia)FR
 styralyl formateFL/FR
 tetrahydroionolFR
 vetiver pentanoneFR
fruity
1,4-diisopropyl-6,8-dioxabicyclo(3.2.1)octaneFR
beta-ionone epoxideFL/FR
 linalool oxide acetatesFL/FR
 octyl propionateFL/FR
 tropical iononeFL/FR
green
isogreen methanoindeneFR
(E)-2-hexen-1-yl salicylateFR
 hexyl 2-methyl butyrateFL/FR
para-methyl hydratropaldehydeFL/FR
herbal
 calendula officinalis flower oil CO2 extractFR
 freesia heptanolFL/FR
 immortelle flower oilFL/FR
 marigold pot flower oilFL/FR
melon
 watermelon ketoneFR
mossy
 moss specialtyFR
musk
 amyris specialtyFR
 ethylene brassylateFL/FR
powdery
(E)-alpha-methyl ionone (44-50%)FL/FR
rummy
 rum extractFL/FR
spicy
isoeugenolFL/FR
isoeugenyl acetateFL/FR
white sassafras oilFL/FR
 spicy carbonateFR
terpenic
alpha-terpineolFL/FR
woody
 anthocephalus cadamba oilFR
 bois de rose leaf oil brazilFL/FR
 cabreuva wood oilFR
 chloranthus spicatus absoluteFR
2-decalinyl acetateFR
 dihydro-beta-ionolFL/FR
 homalomena rubescens root oilFR
 methyl cedryl ketoneFL/FR
3-methyl pentyl angelateFR
 sandal octanolFR
 santalyl acetateFL/FR
1-(5',5',6'-trimethyl bicyclo(2.2.1)hept-2'-yl) propan-2-oneFR
 zdravetz absoluteFR
 zdravetz oilFL/FR
 
For Flavor
 
No flavor group found for these
sec-butyl ethyl etherFL/FR
 dihydro-beta-ionolFL/FR
2',4'-dimethyl acetophenoneFL/FR
beta-ionone epoxideFL/FR
(Z)-linalool oxide (furanoid)FL/FR
 linalool oxide acetatesFL/FR
 marigold pot flower oilFL/FR
(E)-alpha-methyl ionone (44-50%)FL/FR
alpha-isomethyl ionone (60% min.)FL/FR
white sassafras oilFL/FR
 styralyl formateFL/FR
 zdravetz oilFL/FR
berry
 dihydro-alpha-iononeFL/FR
 heliotropyl acetoneFL/FR
citrus
 freesia heptanolFL/FR
laevo-linaloolFL/FR
 myrcenyl acetateFL/FR
 petitgrain cedrat oilFL/FR
alpha-terpineolFL/FR
estery
 octyl propionateFL/FR
floral
 bois de rose leaf oil brazilFL/FR
 dihydrojasmoneFL/FR
alpha-iononeFL/FR
alpha-isomethyl ionone (70% min.)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 mimosa concrete franceFL/FR
 mimosa tenuiflora leaf extractFL/FR
 orris rhizome oil (iris germanica)FL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 tropical iononeFL/FR
fruity
 boronia absoluteFL/FR
green
 hexyl 2-methyl butyrateFL/FR
 linalool oxideFL/FR
para-methyl hydratropaldehydeFL/FR
 nerolidolFL/FR
herbal
 immortelle flower oilFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
musk
 ethylene brassylateFL/FR
oily
2-methyl naphthaleneFL/FR
phenolic
 guaiacyl phenyl acetateFL/FR
rummy
 rum extractFL/FR
spicy
 cassie absoluteFL/FR
isoeugenolFL/FR
isoeugenyl acetateFL/FR
sweet
 orris rhizome absolute (iris germanica)FL/FR
 orris rhizome absolute (iris pallida)FL/FR
waxy
 phenethyl hexanoateFL/FR
woody
delta-damasconeFL/FR
(E)-beta-iononeFL/FR
alpha-ironeFL/FR
 methyl cedryl ketoneFL/FR
 methyl ionyl acetateFL/FR
 santalyl acetateFL/FR
 
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Potential Uses:
 violetFR
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl) pent-1-en-3-one
4-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl) pent-1-en-3-one
4-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one
(1E)-4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
(E)-4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
1-penten-3-one, 4-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
1-penten-3-one, 4-methyl-1-[2,6,6-trimethyl-2-cyclohexen-1-yl]-
5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-4-penten-3-one
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