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3,3-dimethyl-1-indanone
1H-inden-1-one, 2,3-dihydro-3,3-dimethyl-

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Fragrance Demo Formulas
Name:3,3-dimethyl-2H-inden-1-one
CAS Number: 26465-81-6Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J133.522G
MDL:MFCD01846169
XlogP3-AA:2.50 (est)
Molecular Weight:160.21584000
Formula:C11 H12 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 250.80 °C. @ 760.00 mm Hg (est)
Flash Point: 213.00 °F. TCC ( 100.40 °C. ) (est)
logP (o/w): 3.130 (est)
Soluble in:
 water, 194.9 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Sigma-Aldrich: Aldrich
For experimental / research use only.
3,3-Dimethyl-1-indanone
TCI AMERICA
For experimental / research use only.
3,3-Dimethyl-1-indanone >95.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for 3,3-dimethyl-1-indanone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :304628
National Institute of Allergy and Infectious Diseases:Data
3,3-dimethyl-2H-inden-1-one
 
References:
 3,3-dimethyl-2H-inden-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):304628
Pubchem (sid):450489
 
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:2914.39.9000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3,3-dimethyl-2H-inden-1-one
3,3-dimethylindan-1-one
1-indanone, 3,3-dimethyl-
1H-inden-1-one, 2,3-dihydro-3,3-dimethyl-
 
 
Notes:
None found
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