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pseudomethyl ionone

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Name:(4E,6E)-7,11-dimethyldodeca-4,6,10-trien-3-one
CAS Number: 26651-96-7Picture of molecule3D/inchi
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
 
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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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
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 mmHg @ 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)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses:
 
Suppliers:
BOC Sciences
For experimental / research use only.
7,11-Dimethyldodeca-4,6,10-trien-3-one
 
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
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
IFRA Critical Effect:
Dermal 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.
 View the IFRA 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.
 
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
 
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
 
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:
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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Notes:
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