(E)-alpha-ionol
3-buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
 
Notes:
None found
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CAS Number: 211241-68-8Picture of molecule3D/inchi
FDA UNII: 4QI2W5Y52K
Nikkaji Web: J1.281.530A
Beilstein Number: 2327829
XlogP3-AA: 3.00 (est)
Molecular Weight: 194.31754000
Formula: C13 H22 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 265.00 to  266.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 205.00 °F. TCC ( 96.20 °C. ) (est)
logP (o/w): 4.492 (est)
Soluble in:
 alcohol
 water, 21.02 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
alpha-ionol
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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:
oral-rat LDLo  5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 359, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 359, 1988.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 211241-68-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5363817
National Institute of Allergy and Infectious Diseases: Data
 (E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-ol
Chemidplus: 0025312349
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References:
 (E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-ol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 211241-68-8
Pubchem (cid): 5363817
Pubchem (sid): 135058835
Pherobase: View
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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
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
3-buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
 latilure
(E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-ol
(E)-alpha-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol
(E)-alpha-4-2,6,6-trimethyl-2-cyclohexenyl-3-buten-2-ol
(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
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