EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

ionone mixed isomers
cyclocitrylidenacetone, alpha and beta isomers

Supplier Sponsors

Fragrance Demo Formulas
Flavor Demo Formulas
Name:4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CAS Number: 8013-90-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:232-396-8
FDA UNII:QP734LIN1K
XlogP3-AA:2.90 (est)
Molecular Weight:192.30160000
Formula:C13 H20 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.92900 to 0.93700 @ 25.00 °C.
Pounds per Gallon - (est).: 7.730 to 7.797
Refractive Index:1.50100 to 1.50600 @ 20.00 °C.
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 4.100
Soluble in:
 alcohol
 water, 25.16 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 bath foam
 cream
 hair spray
 lipstick
 lotion
 non-discoloring in most media
 powder
 shampoo
 soap
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:112 hour(s) at 100.00 %
violet sweet floral woody
Odor Description:at 10.00 % in dipropylene glycol. violet sweet floral woody
Odor and/or flavor descriptions from others (if found).
Givaudan
Ionone
Odor Description:violet sweet floral woody
Ionone has a warm and woody character, with the suggestion of balsam and violet flowers.
Givaudan
Irisone® Pure
Odor Description:Floral, Orris, Violet, Fruity, Woody
Irisone Pure is widely used in perfumes designed for functional products. Its powerful, rich, floral-violet character is easy to blend with many floral, woody, aldehydic, fruity and chypre accords. Sweeter than Irisone Alpha, this grade of ionone has an excellent price/performance ratio. good substantivity.
Alfrebro
IONONES MIXED NATURAL
Odor Description:Warm Woody Floral
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: masking agents
perfuming agents
 
Suppliers:
Advanced Biotech
IONONE NATURAL
Advanced Biotech
IONONES MIXED 7.7 NATURAL
Alfrebro
IONONES MIXED NATURAL 50% IN ETHANOL
Alfrebro
IONONES MIXED NATURAL
Odor: Warm Woody Floral
Astral Extracts
Ionone Mixed
98%
Augustus Oils
Ionone Pure
Services
Aurochemicals
IONONE MIXTURE, Natural
Azelis UK
IONONE 100%
Services
Berjé
Ionone Alpha-Beta
Happening at Berje
Berjé
Ionone For Soap
Diffusions Aromatiques
IONONE MIXTE
Elan Inc.
FERMENTA BERRY
(Mixed Ionones)(natural), Kosher
Fleurchem
ionone, alpha and beta natural
Givaudan
Ionone
Odor: violet sweet floral woody
Use: Ionone has a warm and woody character, with the suggestion of balsam and violet flowers.
Givaudan
Irisone® Pure
Odor: Floral, Orris, Violet, Fruity, Woody
Use: Irisone Pure is widely used in perfumes designed for functional products. Its powerful, rich, floral-violet character is easy to blend with many floral, woody, aldehydic, fruity and chypre accords. Sweeter than Irisone Alpha, this grade of ionone has an excellent price/performance ratio. good substantivity.
Global Essence
Ionone 100%
Indukern F&F
IRISONE PURE
Odor: FLORAL, VIOLET, FRUITY, WOODY
Inoue Perfumery
IONONE
Keva
IONONE PURE
Kun Shan P&A
Ionone100%
Penta International
IONONE NATURAL MIXTURE
Penta International
IRISONE PURE
Phoenix Aromas & Essential Oils
Ionone 100% Natural
Privi Organics
Ionone 100%
Reincke & Fichtner
Ionone
Takasago
Ionone FG
The Fragrance Museum
Taytonn
Ionone 100%
The John D. Walsh Company
Ionone Extra
WEN International
IONONES Natural
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
S 24 - Avoid contact with skin.
 
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:
oral-rat LD50 4590 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Dermal Toxicity:
subcutaneous-mouse LD50 2605 mg/kg
BEHAVIORAL: ANTICONVULSANT BEHAVIORAL: SLEEP
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 77, 1957.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
IFRA Critical Effect: Sensitization
IFRA Other Specification: <= 2% Pseudoionone
IFRA: View Standard
maximum skin levels for fine fragrances:
  1.5700 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2002)
Recommendation for ionone mixed isomers usage levels up to:
  10.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
  3.0000 %
Dermal Systemic Exposure in Cosmetic Products:
 0.08 mg/kg/day (IFRA, 2002)
 
 
Safety References:
EPI System: View
Daily Med:search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):8013-90-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :26955
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Chemidplus:0008013909
 
References:
 4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:8013-90-9
Pubchem (cid):26955
Pubchem (sid):176259098
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.23.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
aldehydic
3-
methyl-4-hexyl oxybutyraldehyde
FR
amber
cistus ladaniferus resinoid
FL/FR
balsamic
abies alba needle oil
FL/FR
amyris wood oil
FL/FR
iso
bornyl propionate
FL/FR
cinnamyl formate
FL/FR
copaiba balsam oil
FL/FR
fir carboxylate
FR
scotch
pine wood/needles resinoid
FR
berry
raspberry ketone methyl ether
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
(R)-
citronellyl nitrile
FR
citronitrile (Symrise)
FR
2-
heptanol
FL/FR
fatty
butyl undecylenate
FL/FR
hexyl pivalate
FR
fermented
methyl decanoate
FL/FR
floral
acetal 318
FR
iso
amyl angelate
FL/FR
anise indene
FR
benzaldehyde propylene glycol acetal
FL/FR
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
benzyl isobutyrate
FL/FR
blue lagoon fragrance
FR
boronia absolute
FL/FR
bursera graveolens wood oil
FL/FR
cassie absolute
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl butyrate
FL/FR
citronellyl formate
FL/FR
citronellyl hexanoate
FL/FR
(E)-
citronellyl tiglate
FL/FR
3-
cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
FR
4-
cyclohexyl cyclohexanone
FR
cymbopogon validus leaf oil
FR
dimethyl benzyl carbinyl acetate
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
3,6-
dimethyl-3-octyl acetate
FR
ethyl anthranilate
FL/FR
ethyl ethyl anthranilate
FL/FR
eucalyptus macarthurii oil
FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
heliotropin
FL/FR
hibiscus fragrance
FR
alpha-
ionone
FL/FR
alpha-
irone
FL/FR
jasmin cyclopentanone
FR
iso
jasmone
FL/FR
linalyl butyrate
FL/FR
linalyl propionate
FL/FR
magnolia flower oil CO2 extract
FL/FR
magnolia specialty
FR
menthadienyl formate
FR
ortho-
methoxybenzyl ethyl ether
FR
methoxymelonal
FL/FR
1-(2-
methyl allyl oxy)-3-methoxy-3-methyl-1-butane
FR
para-
methyl benzyl acetate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
N-
methyl ionone
FR
beta-iso
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
mimosa absolute france
FL/FR
pink
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower concrete
FR
3-
nonanon-1-yl acetate
FL/FR
orris butenone
FR
orris pyridine 25% IPM
FR
orris rhizome absolute (iris pallida)
FL/FR
orris rhizome absolute replacer
FR
orris rhizome concrete butter (iris pallida)
FL/FR
osmanthus absolute replacer
FR
osmanthus concrete
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl anthranilate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
iso
propyl benzoate
FL/FR
rhodinyl butyrate
FL/FR
rose undecene
FR
souroubea specialty
FR
star fruit oil cuba
FL/FR
styralyl propionate
FL/FR
terpinyl valerate
FL/FR
tetrahydroionyl acetate
FR
ylang ylang flower oil
FL/FR
fruity
allyl benzoate
FR
apricot essence
FL/FR
benzaldehyde / methyl anthranilate schiff's base
FR
benzyl propionate
FL/FR
benzyl valerate
FL/FR
berry hexanoate
FR
buchu wood specialty
FL/FR
butyl 2-naphthyl ether
FL/FR
iso
butyl furyl propionate
FL/FR
citronellyl isobutyrate
FL/FR
beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
1-(3,3-
dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehyde
FR
1,4-
dimethyl bicyclo(3.2.1)oct-3-yl acetate
FR
1,2-
dimethyl butyl 2-butenoate
FR
(R)-gamma-
dodecalactone
FL/FR
eriocephalus punctulatus flower oil
FR
trans-1-
ethyl-2-methyl propyl 2-butenoate
FL/FR
geranyl acetoacetate
FL/FR
ginsene
FR
green acetate
FR
heptyl isovalerate
FL/FR
beta-
ionone epoxide
FL/FR
linalool oxide acetates
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (Z)-5-octenoate
FL/FR
methyl bicycloheptenyl methyloxirane carboxylate
FR
methyl isobutyrate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
myrascone
FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
octyl propionate
FL/FR
peach nitrile
FR
2-
pentanone
FL/FR
perillyl acetate
FL/FR
pineapple hydroxyhexanoate
FL/FR
plum damascone (high alpha)
FR
sambucus canadensis fruit absolute
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
(R)-
styralyl acetate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
2-
undecanone
FL/FR
cis-
woody acetate
FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
methyl heptine carbonate
FL/FR
styralyl acetate
FL/FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
FR
herbal
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
chamomile isobutyrate
FR
chamomile propionate
FR
clary sage oil france
FL/FR
daucus carota fruit oil
FL/FR
geranium cyclohexane
FR
herbal specialty
FR
herbal undecanone
FR
abrialis
lavandin oil
FL/FR
methyl cyclogeranate (Firmenich)
FR
nonisyl acetate
FR
tagete oil madagascar
FL/FR
tricyclodecenyl propionate
FR
medicinal
ortho-
cresyl acetate
FL/FR
powdery
dimethyl ionone
FR
alpha-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (44-50%)
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
spicy
N,N-
diethyl octanamide
FR
green oxane
FR
honey extract
CS
pepper tree berry oil CO2 extract
FL/FR
spicy acetoacetate
FL/FR
turmeric root oil china
FL/FR
terpenic
frankincense oil
FL/FR
tropical
genet absolute
FL/FR
triflaige A (ZEON)
FR
waxy
dihydrocitronellyl acetate
FL/FR
ethyl myristate
FL/FR
(E)-
methyl geranate
FL/FR
orris rhizome oil CO2 extract
FL/FR
phytyl acetate
FL/FR
woody
cedarwood oil virginia
FR
cedrela wood oil
FR
alpha-
cedrene epoxide
FR
2-
decalinyl acetate
FR
melozol acetate
FR
methyl cedryl ketone
FL/FR
rhubarb oxirane
FR
sandalwood oil
FL/FR
spicy pentanone
FL/FR
1-(5',5',6'-
trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-one
FR
woody acetate
FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
iso
amyl angelate
FL/FR
benzyl valerate
FL/FR
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
buchu wood specialty
FL/FR
bursera graveolens wood oil
FL/FR
butyl 2-naphthyl ether
FL/FR
2-
butyl thiophene
FL
cistus ladaniferus resinoid
FL/FR
ortho-
cresyl acetate
FL/FR
dihydrocitronellyl acetate
FL/FR
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
(R)-gamma-
dodecalactone
FL/FR
elecampane root absolute
FL
ethyl 3-hydroxyoctanoate
FL
ethyl ethyl anthranilate
FL/FR
trans-1-
ethyl-2-methyl propyl 2-butenoate
FL/FR
heptyl isovalerate
FL/FR
4-
hydroxyphenethyl alcohol
FL
beta-
ionone epoxide
FL/FR
linalool oxide acetates
FL/FR
magnolia flower oil CO2 extract
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
(E)-
methyl geranate
FL/FR
beta-iso
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (44-50%)
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
phytyl acetate
FL/FR
iso
propyl benzoate
FL/FR
(R)-
styralyl acetate
FL/FR
vitispirane
FL
iso
amyl 3-(2-furan) propionate
FL/FR
benzyl acetoacetate
FL/FR
iso
butyl furyl propionate
FL/FR
beta-
damascone
FL/FR
balsamic
balsamic
iso
bornyl propionate
FL/FR
copaiba balsam oil
FL/FR
berry
perillyl acetate
FL/FR
raspberry ketone methyl ether
FL/FR
burnt
ethyl 2-furoate
FL
cherry
heliotropin
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
petitgrain mandarin oil
FL/FR
styralyl propionate
FL/FR
dairy
methyl (Z)-5-octenoate
FL/FR
estery
octyl propionate
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
floral
(S)-
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
alpha-
ionone
FL/FR
linalyl butyrate
FL/FR
2-
methyl butyl 3-methyl butenoate
FL
alpha-iso
methyl ionone (50% min.)
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
phenethyl anthranilate
FL/FR
rhodinyl butyrate
FL/FR
ylang ylang flower oil
FL/FR
fruity
apricot essence
FL/FR
benzaldehyde propylene glycol acetal
FL/FR
benzyl acetate
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
boronia absolute
FL/FR
citronellyl butyrate
FL/FR
citronellyl formate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
ethyl anthranilate
FL/FR
2-
heptanol
FL/FR
2-
hexyl-4-acetoxytetrahydrofuran
FL
methoxymelonal
FL/FR
para-
methyl benzyl acetate
FL/FR
alpha-
methyl ionone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
osmanthus concrete
FL/FR
2-
pentanone
FL/FR
phenethyl isovalerate
FL/FR
pineapple hydroxyhexanoate
FL/FR
sambucus canadensis fruit absolute
FL/FR
spicy pentanone
FL/FR
star fruit oil cuba
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
styralyl acetate
FL/FR
tagete oil madagascar
FL/FR
terpinyl valerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
green
(E)-
citronellyl tiglate
FL/FR
iso
jasmone
FL/FR
methyl heptine carbonate
FL/FR
hay
genet absolute
FL/FR
herbal
clary sage oil france
FL/FR
daucus carota fruit oil
FL/FR
abrialis
lavandin oil
FL/FR
linalyl propionate
FL/FR
honey
phenethyl isobutyrate
FL/FR
musty
geranyl acetoacetate
FL/FR
spicy
cassie absolute
FL/FR
cinnamyl formate
FL/FR
pepper tree berry oil CO2 extract
FL/FR
spicy acetoacetate
FL/FR
turmeric root oil china
FL/FR
sweet
orris rhizome absolute (iris pallida)
FL/FR
terpenic
abies alba needle oil
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
waxy
butyl undecylenate
FL/FR
ethyl myristate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
mimosa absolute france
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
2-
undecanone
FL/FR
woody
amyris wood oil
FL/FR
frankincense oil
FL/FR
alpha-
irone
FL/FR
methyl cedryl ketone
FL/FR
methyl ionyl acetate
FL/FR
orris rhizome oil CO2 extract
FL/FR
sandalwood oil
FL/FR
 
Potential Uses:
FRabronia
FRacacia
FRboronia
FRclover
FRgardenia
FRhoneysuckle
FRlinden flower
FRmimosa
FRraspberry
FRrose
FRviolet
FRwoody
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 cyclocitrylidenacetone, alpha and beta isomers
 fermenta berry
alpha,beta-ionone
 ionone (mixed isomers)
 ionone alpha-beta
alpha,beta-ionone mix natural
 ionone mixed
 ionone natural
 ionone, alpha and beta natural
 ionones mixed 7.7 natural
 ionones natural
 irisone bis
 irisone coeur
(1)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
 violette AI II
 violettone A
 
 
Notes:
Masking onion, garlic, tobacco.
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