4-Benzylcyclohexan-1-one - CAS 35883-77-3

Name: 4-Benzylcyclohexan-1-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB072661
Product Name:	4-Benzylcyclohexan-1-one
CAS:	35883-77-3
Synonyms:	4-(Phenylmethyl)cyclohexanone; 4-Benzylcyclohexanone

Technical Data

IUPAC Name:	4-benzylcyclohexan-1-one
Description:	4-Benzylcyclohexan-1-one can be used for near-infrared absorbing composition containing an absorbing dye, resin- based dispersant and binder resin, and filter for solid- state imaging device.
Molecular Weight:	188.27
Molecular Formula:	C13H16O
Canonical SMILES:	C1CC(=O)CCC1CC2=CC=CC=C2
InChI:	InChI=1S/C13H16O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChI Key:	DTEOFISCGXWYKE-UHFFFAOYSA-N
Melting Point:	47 - 49°C
Solubility:	Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	White to Off-White Low-Melting Solid
Storage:	-20°C, Inert atmosphere
References:	Haraguchi, K., et.al. PCT Int. Appl., 80, (2017).

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.12011513
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.12011513
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6