2-Decanone - CAS 693-54-9

Catalog:	BB033788
Product Name:	2-Decanone
CAS:	693-54-9
Synonyms:	decan-2-one

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	decan-2-one
Description:	2-Decanone (CAS# 693-54-9) is a useful research chemical.
Molecular Weight:	156.27
Molecular Formula:	C10H20O
Canonical SMILES:	CCCCCCCCC(=O)C
InChI:	InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
InChI Key:	ZAJNGDIORYACQU-UHFFFAOYSA-N
Boiling Point:	210.00 °C (EPI 4.0)
Melting Point:	14 °C
Flash Point:	71 °C
Purity:	99.0 %
Density:	0.825 g/cm³
Solubility:	Insoluble in water; soluble in alcohol.
Appearance:	Colorless liquid
Storage:	Store tightly sealed under inert gas in a cool, well-ventilated area.
MDL:	MFCD00009571
LogP:	3.32600
Refractive Index:	1.421 : 1.428 at 20 deg C

Publication Number	Title	Priority Date
WO-2021123229-A1	Synthesis of lactone derivatives and their use in the modification of proteins	20191220
WO-2021117456-A1	Treatment liquid and pattern forming method	20191209
WO-2021110680-A1	Enol ether properfume	20191203
US-2021100242-A1	Formulations for control and repellency of biting arthropods	20191008
US-2021100245-A1	Synergistic formulations for control and repellency of biting arthropods	20191008

PMID	Publication Date	Title	Journal
22272243	20120101	Anti-tumor effect against human cancer xenografts by a fully human monoclonal antibody to a variant 8-epitope of CD44R1 expressed on cancer stem cells	PloS one
22363481	20120101	S. pombe kinesins-8 promote both nucleation and catastrophe of microtubules	PloS one
22563356	20120101	Volatile organic compounds produced by the phytopathogenic bacterium Xanthomonas campestris pv. vesicatoria 85-10	Beilstein journal of organic chemistry
22027257	20111001	Ishemia-reperfusion enhances GAPDH nitration in aging skeletal muscle	Aging
21474613	20110801	Efficacy of decontaminants and disinfectants against Clostridium difficile	Journal of medical microbiology

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Complexity:	97
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.151415257
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.151415257
Rotatable Bond Count:	7
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7