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

isobutyl ionone
1-hexen-3-one, 5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

Supplier Sponsors

Name:(E)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
CAS Number: 70092-23-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:274-309-6
FDA UNII: Search
Nikkaji Web:J318.118I
XlogP3-AA:4.20 (est)
Molecular Weight:234.38242000
Formula:C16 H26 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Name:(Z)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
CAS Number: 99948-88-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:309-097-7
FDA UNII: Search
XlogP3-AA:4.20 (est)
Molecular Weight:234.38242000
Formula:C16 H26 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category: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:colorless clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.89500 to 0.91500 @ 25.00 °C.
Pounds per Gallon - (est).: 7.447 to 7.614
Refractive Index:1.48500 to 1.50000 @ 20.00 °C.
Boiling Point: 255.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000460 mmHg @ 25.00 °C. (est)
Flash Point: 220.00 °F. TCC ( 104.44 °C. )
logP (o/w): 5.033 (est)
Soluble in:
 alcohol
 water, 0.3956 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: woody
woody vetiver earthy rooty
Odor Description:at 100.00 %. woody vetiver earthy rooty
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
ISOBUTYL IONONE
Odor Description:woody vetiver
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
(E)-5-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
BOC Sciences
For experimental / research use only.
5-Methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-hexen-3-one
 
Safety Information:
 
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
 
Safety in Use Information:
Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for isobutyl ionone usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for isobutyl ionone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):70092-23-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6437739
National Institute of Allergy and Infectious Diseases:Data
(E)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
Chemidplus:0070092238
(Z)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
Chemidplus:099948886
 
References:
 (E)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6437739
Pubchem (sid):135069426
 (Z)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6437785
Pubchem (sid):135069490
 
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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-beta-
methyl ionone
FL/FR
(E)-
sabinene hydrate
FL/FR
amber
amber
acetoxymethyl isolongifolene
FR
amber spirolene
FR
formoxymethyl isolongifolene
FR
animal
iso
butyl quinoline
FR
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
siam
benzoin absolute
FL/FR
siam
benzoin resinoid
FL/FR
1-
benzoyl acetone
FL/FR
laevo-
bornyl acetate
FL/FR
brachyleana hutchinsii wood oil
FR
conifer acetate
FR
fir needle oil canada
FL/FR
fir needle oil terpeneless canada
FL/FR
guaiyl butyrate
FR
hemlock western oil (tsuga heterophylla) canada
FR
juniper berry absolute
FL/FR
myrrh absolute
FL/FR
myrrh resinoid
FR
tolu balsam absolute
FL/FR
tolu balsam resinoid
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
grapefruit indene
FR
grapefruit nitrile
FR
grapefruit pentanol
FR
myrcenyl acetate
FL/FR
earthy
6(or 8)-iso
butyl quinoline
FR
gentian concrete
FR
(Z)-
linalool oxide (furanoid)
FL/FR
patchouli cyclohexanol
FR
floral
4-tert-
butyl cyclohexane carboxaldehyde
FR
cananga oil
FL/FR
cananga oil china
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
gardenia decalone
FR
ho wood oil
FR
alpha-
ionol
FL/FR
beta-
ionone
FL/FR
alpha-
ionone
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
ionyl acetate
FR
alpha-
irone
FL/FR
linaloe wood oil mexico
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
beta-iso
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
methyl ionyl acetate
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
petitgrain cedrat oil
FL/FR
phenyl glycol diacetate
FR
rose absolute (rosa centifolia) morocco
FL/FR
styralyl formate
FL/FR
vetiver pentanone
FR
fruity
iso
butyl furyl propionate
FL/FR
tropical ionone
FL/FR
green
bergoxane
FR
galbanum absolute
FL/FR
galbanum oil
FL/FR
galbanum oil replacer
FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
iso
green methanoindene
FR
(E)-2-
hexen-1-yl salicylate
FR
valerian rhizome oil CO2 extract china
FL/FR
herbal
1-
allyl-2,2,7,7-tetramethyl cycloheptanol
FR
bornane-3,1-cyclopenta-2-one
FR
canarium luzonicum gum
FL/FR
freesia heptanol
FL/FR
immortelle flower oil
FL/FR
rosemary absolute
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
orris
beta-
methyl ionone
FL/FR
powdery
(E)-alpha-
methyl ionone (50-60%)
FL/FR
spicy
elettaria cardamomum seed oil
FL/FR
nutmeg absolute
FL/FR
spicy carbonate
FR
terpenic
elemi resinoid
FL/FR
pine needle oil dwarf
FL/FR
woody
agarwood oil
FR
agarwood oil replacer
FR
agarwood specialty
FR
amyris acetate
FR
bruyere root oil
FR
cedar cyclododecatriene
FR
cedryl formate
FR
copaiba balsam
FL/FR
dihydro-beta-ionol
FL/FR
guaiacwood extract acetate
FR
guaiacwood oil 20% in gurjun balsam oil
FR
alpha-
guaiene
FL/FR
gurjun balsam oil
FR
alpha-
gurjunene
FR
herbal norbornane
FR
4-
hydroxybenzaldehyde
FL/FR
methyl cedryl ketone
FL/FR
alpha-iso
methyl ionol
FR
iso
methyl tetrahydroionyl acetate
FR
patchouli ethanone
FR
patchouli oil
FL/FR
sandal octanol
FR
sandalwood oil
FL/FR
sandalwood oil west australia (santalum spicatum)
FR
santalyl butyrate
FL/FR
symroxane (Symrise)
FR
vetiver oil acetylated
FR
vetiver oil CO2 extract
FL/FR
vetiver oil fractions
FR
vetiver oil haiti MD
FL/FR
vetiverol
FL/FR
vetiveryl acetate
FL/FR
vetylbois
FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
1-
benzoyl acetone
FL/FR
dihydro-beta-ionol
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
fir needle oil canada
FL/FR
alpha-
guaiene
FL/FR
linaloe wood oil mexico
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
beta-iso
methyl ionone
FL/FR
(E)-beta-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
(E)-
sabinene hydrate
FL/FR
santalyl butyrate
FL/FR
styralyl formate
FL/FR
vetiveryl acetate
FL/FR
iso
butyl furyl propionate
FL/FR
anisic
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
siam
benzoin resinoid
FL/FR
laevo-
bornyl acetate
FL/FR
fir needle oil terpeneless canada
FL/FR
juniper berry absolute
FL/FR
myrrh absolute
FL/FR
tolu balsam absolute
FL/FR
tolu balsam resinoid
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
freesia heptanol
FL/FR
laevo-
linalool
FL/FR
myrcenyl acetate
FL/FR
petitgrain cedrat oil
FL/FR
creamy
4-
hydroxybenzaldehyde
FL/FR
floral
cananga oil
FL/FR
cananga oil china
FL/FR
alpha-
ionone
FL/FR
beta-
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
tropical ionone
FL/FR
fruity
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
green
canarium luzonicum gum
FL/FR
elemi resinoid
FL/FR
galbanum absolute
FL/FR
galbanum oil
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
linalool oxide
FL/FR
herbal
immortelle flower oil
FL/FR
rosemary absolute
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
pine
pine needle oil dwarf
FL/FR
spicy
siam
benzoin absolute
FL/FR
elettaria cardamomum seed oil
FL/FR
galangal root oleoresin
FL
nutmeg absolute
FL/FR
sweet
orris rhizome absolute (iris pallida)
FL/FR
woody
copaiba balsam
FL/FR
alpha-
ionol
FL/FR
beta-
ionone
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
irone
FL/FR
methyl cedryl ketone
FL/FR
methyl ionyl acetate
FL/FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
vetiver oil CO2 extract
FL/FR
vetiver oil haiti MD
FL/FR
vetiverol
FL/FR
 
Potential Uses:
FRbalsam
FRherbal
FRleather
FRoriental
FRvetiver
FRwoody
 
Occurrence (nature, food, other):note
 chrysanthemum morifolium
Search Trop Picture
 
Synonyms:
1-hexen-3-one, 5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
alpha-methyl ethyl ionone
5-methyl-1-(2,6,6-trimethyl cyclohex-2-en-1-yl) hex-1-en-3-one
(E)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
alpha-methylethyl ionone
6-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-5-hexen-4-one
 
 
Notes:
None found
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