isomethyl tetrahydroionyl acetate
cyclohexanepropanol, alpha,beta,2,2,6-pentamethyl-, acetate
 
Notes:
None found
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CAS Number: 60241-55-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 262-118-0
FDA UNII: Search
Nikkaji Web: J298.801A
XlogP3-AA: 5.30 (est)
Molecular Weight: 254.41350000
Formula: C16 H30 O2
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: fragrance agents
 
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.92500 to 0.93500 @  25.00 °C.
Pounds per Gallon - (est).: 7.697 to  7.780
Refractive Index: 1.45500 to 1.46800 @  20.00 °C.
Boiling Point: 90.00 °C. @ 1.00 mm Hg
Boiling Point: 275.00 to  276.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.005000 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 5.935 (est)
Soluble in:
 alcohol
 water, 0.1048 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: woody
 
 woody  vetiver  powdery  
Odor Description:
at 100.00 %. 
woody vetiver acetate powdery
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
ISOMETHYL TETRAHYDROIONYL ACETATE
Odor Description: A vetivert-acetate type odor
Used in fragrance specialties.
 
 
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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 isomethyl tetrahydroionyl acetate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Recommendation for isomethyl tetrahydroionyl acetate 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): 60241-55-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 108426
National Institute of Allergy and Infectious Diseases: Data
 [3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-yl] acetate
Chemidplus: 0060241556
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References:
 [3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-yl] acetate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 108426
Pubchem (sid): 135064990
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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: 2915.39.9050
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-beta-methyl iononeFL/FR
(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
 benzyl cinnamateFL/FR
laevo-bornyl acetateFL/FR
 brachyleana hutchinsii wood oilFR
 cinnamyl cinnamateFL/FR
 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
alpha-methyl cinnamyl alcoholFR
 methyl hydrogenated rosinateFR
 myrrh absoluteFL/FR
 myrrh resinoidFR
 tolu balsam absoluteFL/FR
 tolu balsam resinoidFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 grapefruit indeneFR
 grapefruit nitrileFR
 grapefruit pentanolFR
 myrcenyl acetateFL/FR
earthy
(Z)-linalool oxide (furanoid)FL/FR
 patchouli cyclohexanolFR
floral
4-tert-butyl cyclohexane carboxaldehydeFR
 cananga oilFL/FR
 cananga oil chinaFL/FR
2',4'-dimethyl acetophenoneFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 gardenia decaloneFR
alpha-ionolFL/FR
beta-iononeFL/FR
(E)-beta-iononeFL/FR
alpha-iononeFL/FR
alpha-ionyl acetateFR
alpha-ironeFL/FR
 linaloe wood oil mexicoFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
beta-isomethyl iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
 methyl ionyl acetateFL/FR
 orris rhizome absolute (iris pallida)FL/FR
 petitgrain cedrat oilFL/FR
 phenethyl salicylateFL/FR
 phenyl glycol diacetateFR
 rose absolute (rosa centifolia) moroccoFL/FR
 styralyl formateFL/FR
 vetiver pentanoneFR
fruity
 benzyl propionateFL/FR
isobutyl furyl propionateFL/FR
 tropical iononeFL/FR
green
 bergoxaneFR
 galbanum absoluteFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
herbal
 bornane-3,1-cyclopenta-2-oneFR
 canarium luzonicum gumFL/FR
 eucalyptus citriodora oilFR
 freesia heptanolFL/FR
 rosemary absoluteFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil spainFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
honey
 methyl hydrocinnamateFL/FR
powdery
(E)-alpha-methyl ionone (50-60%)FL/FR
spicy
 amyl isoeugenolFR
 elettaria cardamomum seed oilFL/FR
 nutmeg absoluteFL/FR
terpenic
 elemi resinoidFL/FR
 pine needle oil dwarfFL/FR
woody
 agarwood oil replacerFR
 agarwood specialtyFR
 amyris acetateFR
isobutyl iononeFR
 cedar cyclododecatrieneFR
 cedryl formateFR
 copaiba balsamFL/FR
 guaiacwood extract acetateFR
 guaiacwood oil 20% in gurjun balsam oilFR
alpha-guaieneFL/FR
 gurjun balsam oilFR
alpha-gurjuneneFR
 herbal norbornaneFR
4-hydroxybenzaldehydeFL/FR
 methyl cedryl ketoneFL/FR
alpha-isomethyl ionolFR
 patchouli oilFL/FR
 sandal cyclopropaneFL/FR
 sandal octanolFR
 sandalwood oilFL/FR
 sandalwood oil west australia (santalum spicatum)FR
 santalyl butyrateFL/FR
 symroxane (Symrise)FR
 vetiverolFL/FR
 vetiveryl acetateFL/FR
 vetylboisFR
 
For Flavor
 
No flavor group found for these
1-benzoyl acetoneFL/FR
2',4'-dimethyl acetophenoneFL/FR
 fir needle oil canadaFL/FR
alpha-guaieneFL/FR
 linaloe wood oil mexicoFL/FR
(Z)-linalool oxide (furanoid)FL/FR
 methyl hydrocinnamateFL/FR
beta-isomethyl iononeFL/FR
(E)-beta-methyl iononeFL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
(E)-sabinene hydrateFL/FR
 santalyl butyrateFL/FR
 styralyl formateFL/FR
 vetiveryl acetateFL/FR
isobutyl furyl propionateFL/FR
amber
 sandal cyclopropaneFL/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
 tolu balsam absoluteFL/FR
 tolu balsam resinoidFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 freesia heptanolFL/FR
laevo-linaloolFL/FR
 myrcenyl acetateFL/FR
 petitgrain cedrat oilFL/FR
creamy
4-hydroxybenzaldehydeFL/FR
floral
 cananga oilFL/FR
 cananga oil chinaFL/FR
alpha-iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 tropical iononeFL/FR
fruity
 benzyl propionateFL/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
 linalool oxideFL/FR
herbal
 rosemary absoluteFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil spainFL/FR
medicinal,
 phenethyl salicylateFL/FR
pine
 pine needle oil dwarfFL/FR
spicy
siam benzoin absoluteFL/FR
 benzyl cinnamateFL/FR
 cinnamyl cinnamateFL/FR
 elettaria cardamomum seed oilFL/FR
 nutmeg absoluteFL/FR
sweet
 orris rhizome absolute (iris pallida)FL/FR
woody
 copaiba balsamFL/FR
alpha-ionolFL/FR
(E)-beta-iononeFL/FR
beta-iononeFL/FR
alpha-ironeFL/FR
 methyl cedryl ketoneFL/FR
 methyl ionyl acetateFL/FR
 patchouli oilFL/FR
 sandalwood oilFL/FR
 vetiverolFL/FR
 
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Potential Uses:
 amberFR
 orientalFR
 vetiverFR
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 cyclohexanepropanol, alpha,beta,2,2,6-pentamethyl-, acetate
 cyclohexanepropanol, alpha,beta,2,6,6-pentamethyl-, 1-acetate
[3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-yl] acetate
alpha,beta,2,2,6-pentamethyl cyclohexyl propyl acetate
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