2-Pentanone

2-Pentanone
Names
	Preferred IUPAC name Pentan-2-one
	Other names methyl propyl ketone; 2-pentanone; MPK
Identifiers
CAS Number	107-87-9 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:16472 ;
ChEMBL	ChEMBL45345 ;
ChemSpider	7607 ;
ECHA InfoCard	100.003.208
KEGG	C01949 ;
PubChem CID	7895;
RTECS number	CY1400000;
UNII	I97392I10V ;
CompTox Dashboard (EPA)	DTXSID0021888 ;
	InChI InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3 Key: XNLICIUVMPYHGG-UHFFFAOYSA-N ; InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3 Key: XNLICIUVMPYHGG-UHFFFAOYAJ;
	SMILES O=C(C)CCC;
Properties
Chemical formula	C5H10O
Molar mass	86.13 g/mol
Appearance	Colorless liquid
Odor	resembling acetone
Density	0.8062 g/ml (20 °C)
Melting point	−78 °C (−108 °F; 195 K)
Boiling point	102 °C (216 °F; 375 K)
Solubility in water	6% (20°C)
Vapor pressure	3.6 kPa (20 °C)
Magnetic susceptibility (χ)	-57.41·10−6 cm3/mol
Refractive index (nD)	1.3903 (20 °C)
Viscosity	0.50 mPa·s (20 °C)
Hazards
Flash point	10 °C (50 °F; 283 K)
Explosive limits	1.5%-8.2%
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	1600 mg/kg (rat, oral); 1600 mg/kg (mouse, oral)
LCLo (lowest published)	50,000 ppm (guinea pig, 50 min); 13,000 ppm (guinea pig, 5 hr)
	NIOSH (US health exposure limits):
PEL (Permissible)	TWA 200 ppm (700 mg/m3)
REL (Recommended)	TWA 150 ppm (530 mg/m3)
IDLH (Immediate danger)	1500 ppm
	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

2-Pentanone or methyl propyl ketone (MPK) is a ketone and solvent of minor importance. It is comparable to methyl ethyl ketone, but has a lower solvency and is more expensive.^[5] It occurs naturally in Nicotiana tabacum (Tobacco)^[6] and blue cheese as a metabolic product of Penicillium mold growth.^[7]

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[Baird2019-1] [1]
Baird, Zachariah Steven; Uusi-Kyyny, Petri; Pokki, Juha-Pekka; Pedegert, Emilie; Alopaeus, Ville (6 Nov 2019). "Vapor Pressures, Densities, and PC-SAFT Parameters for 11 Bio-compounds". International Journal of Thermophysics. 40 (11): 102. Bibcode:2019IJT....40..102B. doi:10.1007/s10765-019-2570-9.

[2] [2]
NIST Chemistry WebBook. http://webbook.nist.gov

[PGCH-3] [3]
NIOSH Pocket Guide to Chemical Hazards. "#0488". National Institute for Occupational Safety and Health (NIOSH).

[IDLH-4] [4]
"2-Pentanone". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).

[5] [5]
Dieter Stoye (2007), "Solvents", Ullmann's Encyclopedia of Industrial Chemistry (7th ed.), Wiley, pp. 55–56

[6] [6]
T. C. Tso (2007), "Tobacco", Ullmann's Encyclopedia of Industrial Chemistry (7th ed.), Wiley, p. 19

[7] [7]
"WebExhibits: Methyl ketones".

[5]

[6]

[7]

[1]

[2]

[3]

[4]

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2-Pentanone

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References

Names


Preferred IUPAC name Pentan-2-one
Other names methyl propyl ketone 2-pentanone MPK
Identifiers
CAS Number	107-87-9^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:16472^Y
ChEMBL	ChEMBL45345^Y
ChemSpider	7607^Y
ECHA InfoCard	100.003.208
KEGG	C01949^Y
PubChem CID	7895
RTECS number	CY1400000
UNII	I97392I10V^Y
CompTox Dashboard (EPA)	DTXSID0021888
InChI InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3^Y Key: XNLICIUVMPYHGG-UHFFFAOYSA-N^Y InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3 Key: XNLICIUVMPYHGG-UHFFFAOYAJ
SMILES O=C(C)CCC
Properties
Chemical formula	C₅H₁₀O
Molar mass	86.13 g/mol
Appearance	Colorless liquid
Odor	resembling acetone
Density	0.8062 g/ml (20 °C) ^[1]
Melting point	−78 °C (−108 °F; 195 K)
Boiling point	102^[2]^[1] °C (216 °F; 375 K)
Solubility in water	6% (20°C)^[3]
Vapor pressure	3.6 kPa (20 °C)
Magnetic susceptibility (χ)	-57.41·10⁻⁶ cm³/mol
Refractive index (n_D)	1.3903 (20 °C) ^[1]
Viscosity	0.50 mPa·s (20 °C)
Hazards
Flash point	10 °C (50 °F; 283 K)
Explosive limits	1.5%-8.2%^[3]
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	1600 mg/kg (rat, oral) 1600 mg/kg (mouse, oral)^[4]
LC_Lo (lowest published)	50,000 ppm (guinea pig, 50 min) 13,000 ppm (guinea pig, 5 hr)^[4]
NIOSH (US health exposure limits):
PEL (Permissible)	TWA 200 ppm (700 mg/m³)^[3]
REL (Recommended)	TWA 150 ppm (530 mg/m³)^[3]
IDLH (Immediate danger)	1500 ppm^[3]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is ^YN ?) Infobox references