2-Acetylcyclopentanone - CAS 1670-46-8

Catalog:	BB012346
Product Name:	2-Acetylcyclopentanone
CAS:	1670-46-8
Synonyms:	2-acetylcyclopentan-1-one

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2-acetylcyclopentan-1-one
Description:	2-Acetylcyclopentanone (CAS# 1670-46-8) is a useful research chemical.
Molecular Weight:	126.15
Molecular Formula:	C7H10O2
Canonical SMILES:	CC(=O)C1CCCC1=O
InChI:	InChI=1S/C7H10O2/c1-5(8)6-3-2-4-7(6)9/h6H,2-4H2,1H3
InChI Key:	OSWDNIFICGLKEE-UHFFFAOYSA-N
Boiling Point:	75 °C \| Condition: Press: 8 Torr
Melting Point:	60-70°C
Flash Point:	72°C
Purity:	98%
Density:	1.04 g/cm³
Solubility:	water, 1.794e+004 mg/L @ 25 °C (est)
Appearance:	Liquid
Storage:	2-8°C
MDL:	MFCD00001413
LogP:	0.94460
Refractive Index:	n20/D 1.489(lit.)

Publication Number	Title	Priority Date
RU-2755349-C1	Application of benzyl 6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}thio)-2-methyl-4-(4-chlorophenyl)-5-cyano-1,4-dihydropyridine-3-carboxylate as hepatoprotective agent	20210216
CN-112574141-A	Synthesis method of beta-chloro alpha, gamma-dicarbonyl compound	20201225
RU-2752760-C1	Substituted tricyclic organic monoperoxides and method for their preparation	20201214
RU-2752957-C1	Method for producing tricyclic organic diperoxides	20201214
WO-2021178780-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20200306

PMID	Publication Date	Title	Journal
21302339	20110314	Ultrafast vibrational population transfer dynamics in 2-acetylcyclopentanone studied by 2D IR spectroscopy	Chemphyschem : a European journal of chemical physics and physical chemistry
21254751	20110307	Gold(III) N-heterocyclic carbene complexes mediated synthesis of β-enaminones from 1,3-dicarbonyl compounds and aliphatic amines	Inorganic chemistry
21189019	20110127	Identifying chelators for metalloprotein inhibitors using a fragment-based approach	Journal of medicinal chemistry
21054388	20110101	β-dicarbonyl enolates: a new class of neuroprotectants	Journal of neurochemistry
18305421	20080207	A facile route to diastereomeric phosphorus ylides. Chemoselective synthesis of dialkyl (E)-2-[1-(2-oxocyclopentylidene)ethyl]-2-butenedioates	Molecules (Basel, Switzerland)

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Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.068079557
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	126.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3