4'-Pentylacetophenone - CAS 37593-02-5

Name: 4'-Pentylacetophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023352
Product Name:	4'-Pentylacetophenone
CAS:	37593-02-5
Synonyms:	1-(4-pentylphenyl)ethanone; 1-(4-pentylphenyl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-pentylphenyl)ethanone
Description:	4'-Pentylacetophenone (CAS# 37593-02-5) is a useful research chemical.
Molecular Weight:	190.28
Molecular Formula:	C13H18O
Canonical SMILES:	CCCCCC1=CC=C(C=C1)C(=O)C
InChI:	InChI=1S/C13H18O/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14/h7-10H,3-6H2,1-2H3
InChI Key:	KBKGPMDADJLBEM-UHFFFAOYSA-N
Boiling Point:	292.1 °C at 760 mmHg
Density:	0.935 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00043687
LogP:	3.62190

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Publication Number	Title	Priority Date
CN-111205152-A	Preparation method of m-terphenyl compound	20200312
WO-2020209118-A1	Reversibly thermochromic aqueous ink composition for writing utensils, and refill and water-based ballpoint pen each internally containing same	20190411
WO-2020204602-A1	Novel compound and composition for prevention or treatment of respiratory diseases comprising same as active ingredient	20190402
WO-2020203603-A1	Reversible thermochromic composition, reversible thermochromic microcapsule pigment comprising same, and writing instrument using same	20190329
EP-3702419-A1	Reversible thermochromic aqueous ink composition and writing instrument using same	20171023

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.135765193
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.135765193
Rotatable Bond Count:	5
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8