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3-Ethyl-2-hydroxy-2-cyclopenten-1-one solution

3-Ethyl-2-hydroxy-2-cyclopenten-1-one solution - CAS 21835-01-8

Catalog:	BB017167
Product Name:	3-Ethyl-2-hydroxy-2-cyclopenten-1-one solution
CAS:	21835-01-8
Synonyms:	3-ethyl-2-hydroxycyclopent-2-en-1-one

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	3-ethyl-2-hydroxycyclopent-2-en-1-one
Description:	3-Ethyl-2-hydroxy-2-cyclopenten-1-one solution (CAS# 21835-01-8 ) is a useful research chemical.
Molecular Weight:	126.15
Molecular Formula:	C7H10O2
Canonical SMILES:	CCC1=C(C(=O)CC1)O
InChI:	InChI=1S/C7H10O2/c1-2-5-3-4-6(8)7(5)9/h9H,2-4H2,1H3
InChI Key:	JHWFWLUAUPZUCP-UHFFFAOYSA-N
Boiling Point:	258.3 °C at 760 mmHg
Melting Point:	38 - 40 °C
Purity:	95 %
Density:	1.156 g/cm³
Solubility:	2878 mg/L at 25 °C (est)
Appearance:	Viscous yellow to amber liquid
MDL:	MFCD00012391
LogP:	1.57140

Publication Number	Title	Priority Date
CN-113267434-A	Cigarette smoke oral deposition simulation device and method	20210623
CN-113215861-A	Baked sweet and fragrant cigarette paper and preparation method thereof	20210428
CN-111849632-A	Deep processing method of natural tobacco flavor raw material and application of natural tobacco flavor raw material in novel tobacco	20200724
CN-111671131-A	Electronic cigarette atomized liquid with flue-cured tobacco and tobacco taste and preparation method thereof	20200622
CN-111671132-A	Natural tobacco flavor electronic cigarette atomized liquid and preparation method thereof	20200622

PMID	Publication Date	Title	Journal
22445667	20121001	Fragrance material review on 3-ethyl-2-hydroxy-2-cyclopenten-1-one	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
22463595	20120418	Comparison of key aroma compounds in five different types of Japanese soy sauces by aroma extract dilution analysis (AEDA)	Journal of agricultural and food chemistry
20091705	20100701	Moisture-cured silicone-urethanes-candidate materials for tissue engineering: a biocompatibility study in vitro	Journal of biomedical materials research. Part A
15098138	20040601	Analysis of commercial plastination agents	Surgical and radiologic anatomy : SRA
12489881	20021227	Improvement in the detection of impurities affecting ethylene glycol UV transmittance by gas chromatography-mass spectrometry	Journal of chromatography. A

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Complexity:	168
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7