pseudo-isomethyl ionone
 
Notes:
None found
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CAS Number: 1117-41-5Picture of molecule3D/inchi
Other(deleted CASRN): 5659-78-9
ECHA EINECS - REACH Pre-Reg: 214-245-8
FDA UNII: Search
XlogP3-AA: 4.30 (est)
Molecular Weight: 206.32854000
Formula: C14 H22 O
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
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Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
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Physical Properties:
Assay: 50.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 311.00 to  313.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000493 mmHg @ 25.00 °C. (est)
Flash Point: 279.00 °F. TCC ( 137.22 °C. )
logP (o/w): 4.246 (est)
Soluble in:
 alcohol
 water, 2.271 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: not used anymore
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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:
oral-rat LDLo  5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 413, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 2500 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 413, 1988.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: information only not used for fragrances or flavors
IFRA Critical Effect: Dermal sensitization
IFRA: View Standard
Recommendation for pseudo-isomethyl ionone usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Recommendation for pseudo-isomethyl ionone 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): 1117-41-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6436890
National Institute of Allergy and Infectious Diseases: Data
SCCNFP: opinion
 (3E,5E)-3,6,10-trimethylundeca-3,5,9-trien-2-one
Chemidplus: 0001117415
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References:
 (3E,5E)-3,6,10-trimethylundeca-3,5,9-trien-2-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 1117-41-5
Pubchem (cid): 6436890
Pubchem (sid): 135058384
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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: 2914.23.0000
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:
pseudo-isomethyl ionone
 methyl isopseudoionone
isomethyl pseudoionone
 methylisopseudoionone
3,6,10-trimethyl undeca-3,5,9-trien-2-one
(3E,5E)-3,6,10-trimethyl-3,5,9-undecatrien-2-one
2,6,9-trimethylundeca-2,6,8-trien-10-one
(3E,5E)-3,6,10-trimethylundeca-3,5,9-trien-2-one
3,6,10-trimethylundeca-3,5,9-trien-2-one
3,5,9-undecatrien-2-one, 3,6,10-trimethyl-
3,5,9-undecatrien-2-one, 3,6,10-trimethyl-, (3E,5E)-
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