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

Supplier Sponsors

Name:1,3-dihydroinden-2-one
CAS Number: 615-13-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-410-3
FDA UNII: 0I79N673DE
Nikkaji Web:J7.027K
Beilstein Number:0636550
MDL:MFCD00003792
XlogP3-AA:1.30 (est)
Molecular Weight:132.16196000
Formula:C9 H8 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
Google Scholar: with word "volatile"Search
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Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 59.00 °C. @ 760.00 mm Hg
Boiling Point: 248.90 °C. @ 760.00 mm Hg (est)
Flash Point: 212.00 °F. TCC ( 100.00 °C. )
logP (o/w): 1.230 (est)
Soluble in:
 water, 5561 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.
2-Indanone 98%
EMD Millipore
For experimental / research use only.
2-Indanone
sds
Santa Cruz Biotechnology
For experimental / research use only.
2-Indanone
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Indanone 98%
sds
TCI AMERICA
For experimental / research use only.
2-Indanone >98.0%(GC)
sds
 
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:
intravenous-mouse LD50 56 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08390

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 2-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 Substance Registry Services (TSCA):615-13-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11983
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1,3-dihydroinden-2-one
Chemidplus:0000615134
RTECS:NK7535500 for cas# 615-13-4
 
References:
 1,3-dihydroinden-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:615-13-4
Pubchem (cid):11983
Pubchem (sid):134977294
 
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
CHEBI:View
CHEMBL:View
Metabolomics Database:Search
UM BBD:Search
KEGG (GenomeNet):C07727
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:
2,3-dihydro-1H-inden-2-one
1,3-dihydro-2H-inden-2-one
1,3-dihydroinden-2-one
 indan-2-one
2H-inden-2-one, 1,3-dihydro-
1H-inden-2(3H)-one
 

Articles:

PubMed:Bromoform activation. TiCl4-Mg-promoted CHBr2- and CBr3- transfer to a variety of aldehydes and ketones.
PubMed:Synthesis of indenoporphyrins, highly modified porphyrins with reduced diatropic characteristics.
PubMed:Diastereoisomers of 2-benzyl-2, 3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol: potential anti-inflammatory agents.
PubMed:Exploring the reactivity of a coordinatively unsaturated Cp*Ru(kappa(2)-P,O) complex with small molecule substrates: application in E-H bond activation (E = H, B, and Si).
PubMed:Calorimetric and computational study of indanones.
PubMed:Experimental study on the thermal oxidation of 2-chlorophenol in air over the temperature range 450-900 degrees C.
PubMed:Aromatic and aliphatic hydrocarbon consumption and transformation by the styrene degrading strain Pseudomonas putida CA-3.
PubMed:Lipoprotein mutation accelerates substrate permeability-limited toluene dioxygenase-catalyzed reaction.
PubMed:Transition-state effects in acid-catalyzed aryl epoxide hydrolyses.
PubMed:Syntheses of 2-substituted indoles and fused indoles by photostimulated reactions of o-iodoanilines with carbanions by the SRN1 mechanism.
PubMed:Synthesis of 2-indanones via [4 + 1] annulation reactions of (trialkylsilyl)arylketenes.
PubMed:Unusual reactions of 5,5-dimethyl-2-(indenyl-2)-3-pyrazolidinone with acetylenedicarboxylates
PubMed:Pronounced differences in inhibition potency of lactone and non-lactone compounds for mouse and human coumarin 7-hydroxylases (CYP2A5 and CYP2A6).
PubMed:New metabolites in the degradation of fluorene by Arthrobacter sp. strain F101.
PubMed:Regiospecific and stereoselective hydroxylation of 1-indanone and 2-indanone by naphthalene dioxygenase and toluene dioxygenase.
PubMed:Regiospecific and stereoselective hydroxylation of 1-indanone and 2-indanone by naphthalene dioxygenase and toluene dioxygenase.
PubMed:Metabolism and nephrotoxicity of indan in male Fischer 344 rats.
PubMed:Gas chromatographic/mass spectrometric studies of the urinary metabolites of male rats given indan.
 
Notes:
None found
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