pseudomethyl ionone
 
Notes:
None found
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(4E,6E)-7,11-dimethyldodeca-4,6,10-trien-3-one (Click)
CAS Number: 26651-96-7Picture of molecule
ECHA EINECS - REACH Pre-Reg: 247-878-3
XlogP3-AA: 4.40 (est)
Molecular Weight: 206.32854000
Formula: C14 H22 O
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
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Physical Properties:
Assay: 50.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 313.00 to  315.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000466 mm/Hg @ 25.00 °C. (est)
Flash Point: 280.00 °F. TCC ( 137.78 °C. )
logP (o/w): 3.984 (est)
Soluble in:
 alcohol
 water, 2.536 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses:
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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 LD50  > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 305, 1988.

Dermal Toxicity:
skin-rabbit LDLo 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 305, 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: Sensitization
IFRA fragrance material specification:
 Pseudomethylionone should not be used as fragrance ingredient as such, but a level of up to 2% as an impurity in methylionones is accepted.
IFRA: View Standard
Recommendation for pseudomethyl ionone usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Recommendation for pseudomethyl ionone flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 26651-96-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6538424
National Institute of Allergy and Infectious Diseases: Data
 (4E,6E)-7,11-dimethyldodeca-4,6,10-trien-3-one
Chemidplus: 0026651967
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References:
 (4E,6E)-7,11-dimethyldodeca-4,6,10-trien-3-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 26651-96-7
Pubchem (cid): 6538424
Pubchem (sid): 135049732
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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:
2,6-dimethyl dodeca-2,6,8-trien-10-one
(4E,6E)-7,11-dimethyl-4,6,10-dodecatrien-3-one
7,11-dimethyl-4,6,10-dodecatrien-3-one
2,6-dimethyldodeca-2,6,8-trien-10-one
(4E,6E)-7,11-dimethyldodeca-4,6,10-trien-3-one
7,11-dimethyldodeca-4,6,10-trien-3-one
4,6,10-dodecatrien-3-one, 7,11-dimethyl-
4,6,10-dodecatrien-3-one, 7,11-dimethyl-, (4E,6E)-
pseudomethyl ionone
pseudomethylionone
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Articles:
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