alpha-isomethyl ionol
3-buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
 
Notes:
None found
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CAS Number: 51595-91-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 257-310-6
FDA UNII: Search
XlogP3-AA: 3.60 (est)
Molecular Weight: 208.34448000
Formula: C14 H24 O
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: fragrance agents
 
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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 mmHg @ 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)
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Organoleptic Properties:
 
Odor Type: woody
 
 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.
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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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 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.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
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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
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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
No odor group found for these
(E)-sabinene hydrateFL/FR
amber
 acetoxymethyl isolongifoleneFR
 amber spiroleneFR
 formoxymethyl isolongifoleneFR
animal
isobutyl quinolineFR
anisic
para-anisyl phenyl acetateFL/FR
balsamic
siam benzoin absoluteFL/FR
siam benzoin resinoidFL/FR
1-benzoyl acetoneFL/FR
laevo-bornyl acetateFL/FR
 brachyleana hutchinsii wood oilFR
 conifer acetateFR
 fir needle oil canadaFL/FR
 fir needle oil terpeneless canadaFL/FR
 guaiyl butyrateFR
 hemlock western oil (tsuga heterophylla) canadaFR
 juniper berry absoluteFL/FR
 methyl hydrogenated rosinateFR
 myrrh absoluteFL/FR
 myrrh resinoidFR
 tolu balsam absoluteFL/FR
 tolu balsam resinFL/FR
 tolu balsam resinoidFL/FR
citrus
 grapefruit indeneFR
 grapefruit nitrileFR
 grapefruit pentanolFR
earthy
 patchouli cyclohexanolFR
floral
 cananga oilFL/FR
 cananga oil chinaFL/FR
 ho wood oilFR
alpha-ionolFL/FR
alpha-ionyl acetateFR
 methyl ionyl acetateFL/FR
 phenyl glycol diacetateFR
 rose absolute (rosa centifolia) moroccoFL/FR
 vetiver pentanoneFR
green
 bergoxaneFR
 galbanum absoluteFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
isogreen methanoindeneFR
(E)-2-hexen-1-yl salicylateFR
 valerian rhizome oil CO2 extract chinaFL/FR
herbal
 canarium luzonicum gumFL/FR
 immortelle flower oilFL/FR
 rosemary absoluteFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil spainFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
orris
beta-methyl iononeFL/FR
spicy
 elettaria cardamomum seed oilFL/FR
 nutmeg absoluteFL/FR
 spicy carbonateFR
terpenic
 elemi resinoidFL/FR
 pine needle oil dwarfFL/FR
woody
 amyris acetateFR
isobutyl iononeFR
 cedar cyclododecatrieneFR
 cedryl formateFR
 copaiba balsamFL/FR
 dihydro-beta-ionolFL/FR
3',4'-dimethoxyacetophenone 
 guaiacwood oil 20% in gurjun balsam oilFR
alpha-guaieneFL/FR
 gurjun balsam oilFR
alpha-gurjuneneFR
 herbal norbornaneFR
4-hydroxybenzaldehydeFL/FR
 methyl cedryl ketoneFL/FR
isomethyl tetrahydroionyl acetateFR
 patchouli ethanoneFR
 patchouli oilFL/FR
 sandalwood oilFL/FR
 sandalwood oil west australia (santalum spicatum)FR
 santalyl butyrateFL/FR
 vetiverolFL/FR
 vetiveryl acetateFL/FR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
1-benzoyl acetoneFL/FR
 dihydro-beta-ionolFL/FR
 fir needle oil canadaFL/FR
alpha-guaieneFL/FR
(E)-sabinene hydrateFL/FR
 santalyl butyrateFL/FR
 vetiveryl acetateFL/FR
anisic
para-anisyl phenyl acetateFL/FR
balsamic
siam benzoin resinoidFL/FR
laevo-bornyl acetateFL/FR
 fir needle oil terpeneless canadaFL/FR
 juniper berry absoluteFL/FR
 myrrh absoluteFL/FR
 peru balsamFL
 tolu balsam absoluteFL/FR
 tolu balsam resinFL/FR
 tolu balsam resinoidFL/FR
creamy
4-hydroxybenzaldehydeFL/FR
floral
 cananga oilFL/FR
 cananga oil chinaFL/FR
beta-methyl iononeFL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
green
 canarium luzonicum gumFL/FR
 elemi resinoidFL/FR
 galbanum absoluteFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
herbal
 immortelle flower oilFL/FR
 rosemary absoluteFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil spainFL/FR
pine
 pine needle oil dwarfFL/FR
spicy
siam benzoin absoluteFL/FR
 elettaria cardamomum seed oilFL/FR
 galangal root oleoresinFL
 nutmeg absoluteFL/FR
woody
 copaiba balsamFL/FR
3',4'-dimethoxyacetophenone 
alpha-ionolFL/FR
 methyl cedryl ketoneFL/FR
 methyl ionyl acetateFL/FR
 patchouli oilFL/FR
 sandalwood oilFL/FR
 vetiverolFL/FR
 
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Potential Uses:
 mossFR
 orientalFR
 vetiverFR
 violetFR
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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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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