tetrahydroionol
cyclohexanepropanol, a,2,2,6-tetramethyl-
 
Notes:
None found
  • Associate Allied Chemicals
    • Associate Allied Chemicals
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      Product(s):
      Tetrahydro Ionol
       
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      Product(s):
      4361-23-3 TETRAHYDROIONOL 97.0%
       
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Synonyms   Articles   Notes   Search
CAS Number: 4361-23-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 224-445-7
Nikkaji Web: J191.440E
XlogP3-AA: 4.30 (est)
Molecular Weight: 198.34942000
Formula: C13 H26 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
PubMed: Search
NCBI: Search
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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: 0.90000 to 0.81500 @  25.00 °C.
Pounds per Gallon - (est).: 7.489 to  6.782
Boiling Point: 80.00 °C. @ 2.00 mm Hg
Boiling Point: 250.00 to  251.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.004000 mmHg @ 25.00 °C. (est)
Flash Point: 220.00 °F. TCC ( 104.44 °C. )
logP (o/w): 4.616 (est)
Soluble in:
 alcohol
 water, 11.11 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
Substantivity: > 8 hour(s) at 100.00 %
 
 floral  violet  woody  leathery  
Odor Description:
at 100.00 %. 
mild floral violet woody leathery
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
TETRAHYDROIONOL ≥97.0%, Kosher, Special Order
Odor Description: A mild floral, violet odor
Used mostly in woody and violet applications.
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Associate Allied Chemicals
Tetrahydro Ionol
About
BOC Sciences
For experimental / research use only.
TETRAHYDROIONOL 97.0%
Penta International
TETRAHYDROIONOL
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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 tetrahydroionol usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for tetrahydroionol flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 4361-23-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 107272
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 4-(2,2,6-trimethylcyclohexyl)butan-2-ol
Chemidplus: 0004361233
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References:
Leffingwell: Chirality or Article
 4-(2,2,6-trimethylcyclohexyl)butan-2-ol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 4361-23-3
Pubchem (cid): 107272
Pubchem (sid): 135063055
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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: 2906.19.5000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
(E)-beta-methyl iononeFL/FR
alliaceous
 dibutyl sulfideFL/FR
animal
2-isobutyl quinolineFR
 methyl (E)-2-octenoateFL/FR
balsamic
 benzyl cinnamateFL/FR
citrus
 citronelloneFR
2-heptanolFL/FR
fatty
 butyl undecylenateFL/FR
floral
 acetal 318FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl formateFL/FR
 boronia absoluteFL/FR
 boronia absolute replacerFL/FR
 boronia butenalFR
 boronia fragranceFR
 cassie absoluteFL/FR
 cassie concreteFR
 dihydro-alpha-iononeFL/FR
 dimethyl alpha-iononeFR
 dimethyl benzyl carbinyl acetateFL/FR
4-dimethyl iononeFR
 floral methanolFR
 geraniolFL/FR
 hugonia specialtyFR
alpha-ionolFL/FR
beta-ionolFL/FR
alpha-iononeFL/FR
beta-ionyl acetateFL/FR
alpha-ionyl acetateFR
 iris specialtyFR
alpha-ironeFL/FR
 menthadienyl formateFR
ortho-methoxybenzyl ethyl etherFR
 methoxymelonalFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
beta-isomethyl iononeFL/FR
N-methyl iononeFR
alpha-isomethyl ionone (50% min.)FL/FR
alpha-isomethyl ionone (60% min.)FL/FR
alpha-isomethyl ionone (70% min.)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 muguet carbinolFL/FR
 orris butenoneFR
 orris pyridine 25% IPMFR
 orris rhizome absolute (iris germanica)FL/FR
 orris rhizome absolute (iris pallida)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 orris rhizome oil (iris germanica)FL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 orris rhizome resinoid replacerFR
 petitgrain lemon oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 star fruit oil cubaFL/FR
 tobacco flower absoluteFR
 violet flower absoluteFL/FR
 violet methyl carbonateFR
fruity
beta-ionone epoxideFL/FR
3-mercaptohexyl acetateFL/FR
 rhubarb pyranFR
green
isoamyl 3-(2-furan) propionateFL/FR
1-heptanolFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
 hexen-1-yl oxypropane nitrileFR
 hexoxyacetaldehyde dimethyl acetalFR
(Z)-leaf acetalFL/FR
 melon nonenoateFL/FR
 methyl heptine carbonateFL/FR
 methyl octine carbonateFL/FR
3,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
2,6-nonadienalFL/FR
(E,Z)-2,6-nonadienalFL/FR
(E)-2-nonen-1-olFL/FR
2-nonyn-1-al dimethyl acetalFR
 octanal dimethyl acetalFL/FR
 violet decenolFR
 violet dienyneFR
 violet leaf absoluteFL/FR
 violet leaf concreteFR
 violet nitrileFR
herbal
 cananga fruit oilFR
 chamomile valerateFR
 clary propyl acetateFR
 methyl cyclogeranate (Firmenich)FR
orris
beta-methyl iononeFL/FR
2(1)-orris butanalFL/FR
phenolic
meta-cresolFR
powdery
 dimethyl iononeFR
alpha-methyl iononeFL/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
resinous
 amber oil CO2 extractFR
smoky
 birch tar oilFL/FR
tobacco
 veltonal (Bedoukian)FR
tonka
 saffron resinoidFL/FR
waxy
 ethyl myristateFL/FR
 orris rhizome oil CO2 extractFL/FR
woody
 diethyl dimethyl-2-cyclohexenoneFR
1-(5',5',6'-trimethyl bicyclo(2.2.1)hept-2'-yl) propan-2-oneFR
 violet propanolFR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
isoamyl angelateFL/FR
 birch tar oilFL/FR
 boronia absolute replacerFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
beta-ionone epoxideFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
beta-isomethyl iononeFL/FR
(E)-beta-methyl iononeFL/FR
(E)-alpha-methyl ionone (44-50%)FL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
alpha-isomethyl ionone (60% min.)FL/FR
2,6-nonadienalFL/FR
2(1)-orris butanalFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
apple
(E,Z)-2,6-nonadien-1-olFL/FR
berry
 dihydro-alpha-iononeFL/FR
citrus
 petitgrain lemon oilFL/FR
floral
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
beta-ionolFL/FR
alpha-iononeFL/FR
beta-methyl iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
alpha-isomethyl ionone (70% min.)FL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 muguet carbinolFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 orris rhizome oil (iris germanica)FL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 violet flower absoluteFL/FR
fruity
 benzyl acetateFL/FR
 benzyl formateFL/FR
 boronia absoluteFL/FR
2-heptanolFL/FR
 methoxymelonalFL/FR
 methyl (E)-2-octenoateFL/FR
alpha-methyl iononeFL/FR
 phenethyl isovalerateFL/FR
 star fruit oil cubaFL/FR
green
 dibutyl sulfideFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-leaf acetalFL/FR
 melon nonenoateFL/FR
 methyl heptine carbonateFL/FR
 methyl octine carbonateFL/FR
3,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
(E)-2-nonen-1-olFL/FR
 octanal dimethyl acetalFL/FR
 violet leaf absoluteFL/FR
honey
 phenethyl isobutyrateFL/FR
solvent
1-heptanolFL/FR
spicy
 benzyl cinnamateFL/FR
 cassie absoluteFL/FR
sweet
 orris rhizome absolute (iris germanica)FL/FR
 orris rhizome absolute (iris pallida)FL/FR
 saffron resinoidFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
waxy
 butyl undecylenateFL/FR
 ethyl myristateFL/FR
woody
alpha-ionolFL/FR
beta-ionyl acetateFL/FR
alpha-ironeFL/FR
 methyl ionyl acetateFL/FR
 orris rhizome oil CO2 extractFL/FR
 
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Potential Uses:
 floralFR
 mossFR
 orientalFR
 violetFR
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 cyclohexanepropanol, a,2,2,6-tetramethyl-
 tetrahydroional
 tetrahydroionol
alpha,2,2,6-tetramethyl cyclohexane propanol
4-(2,2,6-trimethylcyclohexyl)butan-2-ol
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