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

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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, Edge or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
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
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
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
 
 
Safety References:
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
 
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
 
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
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 
 
Notes:
None found
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