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108367

Sigma-Aldrich

Cyclobutyl phenyl ketone

98%

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Linear Formula:
C6H5COC4H7
CAS Number:
5407-98-7
Molecular Weight:
160.21
EC Number:
226-473-5
MDL number:
MFCD00001326
UNSPSC Code:
12352100
PubChem Substance ID:
24846663
NACRES:
NA.22

Quality Level

100

Assay

98%

refractive index

n20/D 1.547 (lit.)

bp

114-118 °C/7 mmHg (lit.)

density

1.05 g/mL at 25 °C (lit.)

SMILES string

O=C(C1CCC1)c2ccccc2

InChI

1S/C11H12O/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

InChI key

MVEBDOSCXOQNAR-UHFFFAOYSA-N

General description

Cyclobutyl phenyl ketone reacts with 2-butanol and di-t-butyl peroxide to yield valerophenone.

Application

Cyclobutyl phenyl ketone was used to study thermal reactions of parent and phenyl substituted N-acyl cyclobutylimines.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Thermal Reactions of N-Acyl Phenylcyclobutylimines.
Wu PL.
J. Chin. Chem. Soc., 45, 183-188 (1998)
Some Reactions of Cyclobutylcarbinyl Radical Intermediates.
Neckers DC, et al.
The Journal of Organic Chemistry, 31(2), 622-624 (1966)
Jose Serrano et al.
Xenobiotica; the fate of foreign compounds in biological systems, 50(2), 192-208 (2019-03-20)
1. Cyclic phenones are chemicals of interest to the USEPA due to their potential for endocrine disruption to aquatic and terrestrial species.2. Prior to this report, there was very limited information addressing metabolism of cyclic phenones by fish species and

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