EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes

pseudomethyl ionone

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CAS Number: 26651-96-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:247-878-3
FDA UNII: Search
XlogP3-AA:4.40 (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
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US Patents:Search
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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:
 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:
BOC Sciences
For experimental / research use only.
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
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:
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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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
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
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
2,6-dimethyl dodeca-2,6,8-trien-10-one
4,6,10-dodecatrien-3-one, 7,11-dimethyl-
4,6,10-dodecatrien-3-one, 7,11-dimethyl-, (4E,6E)-
pseudomethyl ionone
None found
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