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filicinic acid
3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one

Supplier Sponsors

Name:2,2-dimethylcyclohexane-1,3,5-trione
CAS Number: 2065-00-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-175-9
FDA UNII: 29749AS4DE
Nikkaji Web:J2.365.554C
XlogP3-AA:0.80 (est)
Molecular Weight:154.16530000
Formula:C8 H10 O3
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 214.50 °C. @ 760.00 mm Hg
Boiling Point: 312.77 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 273.00 °F. TCC ( 133.60 °C. ) (est)
logP (o/w): -1.354 (est)
Soluble in:
 water, 2.769e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3,5-Dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one 95%
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for filicinic acid usage levels up to:
 not for fragrance use.
 
Recommendation for filicinic acid flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :72852
National Institute of Allergy and Infectious Diseases:Data
2,2-dimethylcyclohexane-1,3,5-trione
Chemidplus:0002065001
 
References:
 2,2-dimethylcyclohexane-1,3,5-trione
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):72852
Pubchem (sid):135029084
 
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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
3,5-dihydroxy-4,4-dimethyl cyclohexa-2,5-dien-1-one
3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
2,2-dimethylcyclohexane-1,3,5-trione
1,1-dimethylcyclohexane-2,4,6-trione
 
 
Notes:
None found
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