Valerophenone

Valerophenone
Names
	Preferred IUPAC name 1-Phenylpentan-1-one
	Other names 1-Phenyl-1-pentanone; Valerophenone; Butyl phenyl ketone; n-Butyl phenyl ketone
Identifiers
CAS Number	1009-14-9 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:36812 ;
ChEMBL	ChEMBL372105 ;
ChemSpider	59482 ;
ECHA InfoCard	100.012.516
PubChem CID	66093;
UNII	F27Q043NT1 ;
CompTox Dashboard (EPA)	DTXSID0061406 ;
	InChI InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 Key: XKGLSKVNOSHTAD-UHFFFAOYSA-N ; InChI=1/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 Key: XKGLSKVNOSHTAD-UHFFFAOYAK;
	SMILES O=C(c1ccccc1)CCCC;
Properties
Chemical formula	C11H14O
Molar mass	162.23 g/mol
Density	0.988 g/cm3
Melting point	−9.4 °C (15.1 °F; 263.8 K)
Boiling point	105 to 107 °C (221 to 225 °F; 378 to 380 K) at 5 mmHg
Hazards
NFPA 704 (fire diamond)	2 1
Safety data sheet (SDS)	External MSDS
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Valerophenone, or butyl phenyl ketone, is an aromatic ketone with the formula C₆H₅C(O)C₄H₉. It is a colorless liquid that is soluble in organic solvents. It is usually prepared by the acylation of benzene using valeryl chloride.^[1]

^ Milstein, D.; Stille, J. K. (1978). "A general, selective, and facile method for ketone synthesis from acid chlorides and organotin compounds catalyzed by palladium". Journal of the American Chemical Society. 100 (11): 3636–3638. doi:10.1021/ja00479a077.

[1] Milstein, D.; Stille, J. K. (1978). "A general, selective, and facile method for ketone synthesis from acid chlorides and organotin compounds catalyzed by palladium". Journal of the American Chemical Society. 100 (11): 3636–3638. doi:10.1021/ja00479a077.

[1]

Names


Preferred IUPAC name 1-Phenylpentan-1-one
Other names 1-Phenyl-1-pentanone Valerophenone Butyl phenyl ketone n-Butyl phenyl ketone
Identifiers
CAS Number	1009-14-9^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:36812^Y
ChEMBL	ChEMBL372105^Y
ChemSpider	59482^Y
ECHA InfoCard	100.012.516
PubChem CID	66093
UNII	F27Q043NT1^N
CompTox Dashboard (EPA)	DTXSID0061406
InChI InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3^Y Key: XKGLSKVNOSHTAD-UHFFFAOYSA-N^Y InChI=1/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 Key: XKGLSKVNOSHTAD-UHFFFAOYAK
SMILES O=C(c1ccccc1)CCCC
Properties
Chemical formula	C₁₁H₁₄O
Molar mass	162.23 g/mol
Density	0.988 g/cm³
Melting point	−9.4 °C (15.1 °F; 263.8 K)
Boiling point	105 to 107 °C (221 to 225 °F; 378 to 380 K) at 5 mmHg
Hazards
NFPA 704 (fire diamond)	2 1
Safety data sheet (SDS)	External MSDS
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references