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

alpha-isomethyl ionol
3-buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

Supplier Sponsors

Name:3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ol
CAS Number: 51595-91-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:257-310-6
XlogP3-AA:3.60 (est)
Molecular Weight:208.34448000
Formula:C14 H24 O
NMR Predictor:Predict (works with chrome 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
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.91000 to 0.93000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.572 to 7.739
Refractive Index:1.49000 to 1.51000 @ 20.00 °C.
Boiling Point: 225.00 °C. @ 3.00 mm Hg
Vapor Pressure:0.000125 mm/Hg @ 25.00 °C. (est)
Flash Point: 210.00 °F. TCC ( 98.89 °C. )
logP (o/w): 4.478 (est)
Soluble in:
 alcohol
 water, 4.706 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:medium
woody vetiver
Odor Description:at 100.00 %. woody vetiver acetate
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
alpha-ISOMETHYL IONOL
Odor Description:A woody vetivert-type odor.
Used in violet compositions.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
alpha-ISOMETHYL IONOL
Odor: A woody vetivert-type odor.
Use: Used in violet compositions.
 
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
Recommendation for alpha-isomethyl ionol usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Recommendation for alpha-isomethyl ionol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):51595-91-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :103499
National Institute of Allergy and Infectious Diseases:Data
3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ol
Chemidplus:0051595916
 
References:
 3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):103499
Pubchem (sid):135060831
 
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
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(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
methyl hydrogenated rosinate
FR
myrrh absolute
FL/FR
myrrh resinoid
FR
tolu balsam absolute
FL/FR
tolu balsam resin
FL/FR
tolu balsam resinoid
FL/FR
citrus
grapefruit indene
FR
grapefruit nitrile
FR
grapefruit pentanol
FR
earthy
patchouli cyclohexanol
FR
floral
cananga oil
FL/FR
cananga oil china
FL/FR
ho wood oil
FR
alpha-
ionol
FL/FR
alpha-
ionyl acetate
FR
methyl ionyl acetate
FL/FR
phenyl glycol diacetate
FR
rose absolute (rosa centifolia) morocco
FL/FR
vetiver pentanone
FR
green
bergoxane
FR
galbanum absolute
FL/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
canarium luzonicum gum
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
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
amyris acetate
FR
iso
butyl ionone
FR
cedar cyclododecatriene
FR
cedryl formate
FR
copaiba balsam
FL/FR
dihydro-beta-ionol
FL/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
iso
methyl tetrahydroionyl acetate
FR
patchouli ethanone
FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
sandalwood oil west australia (santalum spicatum)
FR
santalyl butyrate
FL/FR
vetiverol
FL/FR
vetiveryl acetate
FL/FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
1-
benzoyl acetone
FL/FR
dihydro-beta-ionol
FL/FR
fir needle oil canada
FL/FR
alpha-
guaiene
FL/FR
(E)-
sabinene hydrate
FL/FR
santalyl butyrate
FL/FR
vetiveryl acetate
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
peru balsam
FL
tolu balsam absolute
FL/FR
tolu balsam resin
FL/FR
tolu balsam resinoid
FL/FR
creamy
4-
hydroxybenzaldehyde
FL/FR
floral
cananga oil
FL/FR
cananga oil china
FL/FR
beta-
methyl ionone
FL/FR
rose absolute (rosa centifolia) morocco
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 oleoresin
FL/FR
galbanum resinoid
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
woody
copaiba balsam
FL/FR
alpha-
ionol
FL/FR
methyl cedryl ketone
FL/FR
methyl ionyl acetate
FL/FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
vetiverol
FL/FR
 
Potential Uses:
FRmoss
FRoriental
FRvetiver
FRviolet
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3-buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol
3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ol
3-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ol
 

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