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4-chromanone
4H-1-benzopyran-4-one, 2,3-dihydro-

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Name:2,3-dihydrochromen-4-one
CAS Number: 491-37-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:207-736-3
FDA UNII: Search
Nikkaji Web:J11.757I
Beilstein Number:124652
MDL:MFCD00006840
XlogP3-AA:1.40 (est)
Molecular Weight:148.16116000
Formula:C9 H8 O2
BioActivity Summary:listing
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
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"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
Refractive Index:1.57500 @ 20.00 °C.
Melting Point: 36.50 °C. @ 760.00 mm Hg
Boiling Point: 253.20 °C. @ 760.00 mm Hg (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 1.990 (est)
Soluble in:
 water, 3060 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.
4-chromanone 95%
ExtraSynthese
For experimental / research use only.
4-Chromanone
Santa Cruz Biotechnology
For experimental / research use only.
4-Chromanone
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Chromanone 97%
sds
TCI AMERICA
For experimental / research use only.
4-Chromanone >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:
oral-rat LD50 2647 mg/kg
SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0540641

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for 4-chromanone usage levels up to:
 not for fragrance use.
 
Recommendation for 4-chromanone 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):491-37-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :68110
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2,3-dihydrochromen-4-one
Chemidplus:0000491372
RTECS:DJ2981225 for cas# 491-37-2
 
References:
 2,3-dihydrochromen-4-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):68110
Pubchem (sid):135023981
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2932.99.9090
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
4H-1-benzopyran-4-one, 2,3-dihydro-
 chroman-4-one
2,3-dihydrochromen-4-one
 

Articles:

PubMed:Synthesis, structure-activity relationship studies, and antibacterial evaluation of 4-chromanones and chalcones, as well as olympicin a and derivatives.
PubMed:Design, synthesis and biological evaluation of 4-chromanone derivatives as IKr inhibitors.
PubMed:Synthesis and in vitro cytotoxic activity of novel chalcone-like agents.
PubMed:Prospects for flavonoid and related phytochemicals as nature-inspired treatments for Clostridium difficile infection.
PubMed:Rhodium catalyzed oxidative coupling of salicylaldehydes with diazabicyclic olefins: a one pot strategy involving aldehyde C-H cleavage and π-allyl chemistry towards the synthesis of fused ring chromanones.
PubMed:Cyclic chalcone analogue KRP6 as a potent modulator of cell proliferation: an in vitro study in HUVECs.
PubMed:3-Bromo-chroman-4-one.
PubMed:Synthesis, in vitro antifungal evaluation and in silico study of 3-azolyl-4-chromanone phenylhydrazones.
PubMed:Enantiomeric scaffolding of α-tetralone and related scaffolds by EKR (enzymatic kinetic resolution) and stereoselective ketoreduction with ketoreductases.
PubMed:Anti-inflammatory activities of selected synthetic homoisoflavanones.
PubMed:Highly efficient construction of spirocyclic chromanone-pyrrolidines via Cu(I)/TF-BiphamPhos-catalyzed asymmetric 1,3-dipolar cycloaddition.
PubMed:A chromanone alkaloid from Derris ovalifolia stem.
PubMed:Modulation of expression of IL-8 gene in bronchial epithelial cells by 5-methoxypsoralen.
PubMed:Isolation and immunomodulatory effect of homoisoflavones and flavones from Agave sisalana Perrine ex Engelm.
PubMed:[Chemical constitutents in fermental mycelium of Xylaria nigripes].
PubMed:Apralactone A and a New Stereochemical Class of Curvularins from the Marine-Derived Fungus Curvularia sp.
PubMed:Carbonyl emissions from gasoline and diesel motor vehicles.
PubMed:Bioactive alkenylphenols from Piper obliquum.
PubMed:Protective effect of icariin on DNA against radical-induced oxidative damage.
PubMed:Homoisoflavanones from Pseudoprospero firmifolium of the monotypic tribe Pseudoprospereae (Hyacinthaceae: Hyacinthoideae).
PubMed:(+)-Silybin, a pharmacologically active constituent of Silybum marianum: fragmentation studies by atmospheric pressure chemical ionization quadrupole time-of-flight tandem mass spectrometry.
PubMed:The hydrogenation/transfer hydrogenation network: asymmetric hydrogenation of ketones with chiral eta6-arene/N-Tosylethylenediamine-ruthenium(II) catalysts.
PubMed:Synthesis and immunosuppressive activity of L-rhamnopyranosyl flavonoids.
PubMed:Icariin: a special antioxidant to protect linoleic acid against free-radical-induced peroxidation in micelles.
PubMed:Two unusual rotenoid derivatives, 7a-O-methyl-12a-hydroxydeguelol and spiro-13-homo-13-oxaelliptone, from the seeds of Derris trifoliata.
PubMed:Synthesis and evaluation of 6-hydroxy-7-methoxy-4-chromanone- and chroman-2-carboxamides as antioxidants.
PubMed:Binding model construction of antifungal 2-aryl-4-chromanones using CoMFA, CoMSIA, and QSAR analyses.
PubMed:The antioxidative effect of icariin in human erythrocytes against free-radical-induced haemolysis.
PubMed:Concise synthesis of anti-HIV-1 active (+)-inophyllum B and (+)-calanolide A by application of (-)-quinine-catalyzed intramolecular oxo-Michael addition.
PubMed:Crystal structure of the 4-chromanone derivative.
PubMed:In vitro antiproliferative effects on human tumor cell lines of extracts from the Bangladeshi medicinal plant Aegle marmelos Correa.
PubMed:Homoisoflavonoids and xanthones from the tubers of wild and in vitro regenerated Ledebouria graminifolia and cytotoxic activities of some of the homoisoflavonoids.
PubMed:Development of novel pesticides based on phytoalexins: Part 2. Quantitative structure-activity relationships of 2-heteroaryl-4-chromanone derivatives.
PubMed:Flavonoids and stilbenoids with COX-1 and COX-2 inhibitory activity from Dracaena loureiri.
PubMed:Carbanion-induced base-catalyzed synthesis of 1H-isothiochromenes, benzo[c]thiochromenes through ring-transformation reactions of 6-aryl-2H-pyran-2-ones.
PubMed:Alanine-scanning mutagenesis of a putative substrate recognition site in human cytochrome P450 3A4. Role of residues 210 and 211 in flavonoid activation and substrate specificity.
PubMed:Synthesis and pharmacological profile of novel N-substituted N-[5H-[1]benzopyrano[4,3-d]pyrimidin-2-YL]-N-methylglycinamides.
PubMed:Potent inhibitors of acyl-CoA:cholesterol acyltransferase. Structure-activity relationships of novel N-(4-oxochroman-8-yl)amides.
PubMed:Screening of unsubstituted cyclic compounds as inhibitors of monoamine oxidases.
PubMed:Microbiological transformation of chromone, chromanone, and ring A hydroxyflavones.
PubMed:Cycloaddition of dichloroketene to N,N-disubstituted 3-aminomethylene-5-hydroxy-2,2-dimethyl-7-pentyl-4-chromanone: synthesis of 2H,5H-pyrano[3,2-c][1]benzopyran derivatives.
PubMed:Fragmentation of 3-oximino-4-chromanone.
PubMed:3-amino-4-chromanone hydrochlorides.
 
Notes:
None found
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