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About This Item
Linear Formula:
CH3COCH2CH2CH3
CAS Number:
Molecular Weight:
86.13
EC Number:
203-528-1
UNSPSC Code:
12352115
PubChem Substance ID:
Beilstein/REAXYS Number:
506058
MDL number:
Assay:
≥99%
Bp:
101-105 °C (lit.)
Vapor pressure:
27 mmHg ( 20 °C)
vapor pressure
27 mmHg ( 20 °C)
product line
ReagentPlus®
assay
≥99%
form
liquid
autoignition temp.
941 °F
purified by
redistillation
expl. lim.
8.2 %
dilution
(for general lab use)
refractive index
n20/D 1.39 (lit.)
bp
101-105 °C (lit.)
mp
−78 °C (lit.)
solubility
water: soluble 72.6 g/L at 20 °C
density
0.809 g/mL at 25 °C (lit.)
SMILES string
CCCC(C)=O
InChI
1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChI key
XNLICIUVMPYHGG-UHFFFAOYSA-N
Other Notes
A -D suffix exists for administrative purposes only.
All -D packages are 100% the same product, same quality, same specification as the package sizes previously sold without a -D.
All -D packages are 100% the same product, same quality, same specification as the package sizes previously sold without a -D.
Legal Information
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
46.4 °F - closed cup
flash_point_c
8 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Infinite-dilution binary diffusion coefficients of 2-propanone, 2-butanone, 2-pentanone, and 3-pentanone in CO2 by the Taylor dispersion technique from 308.15 to 328.15 K in the pressure range from 8 to 35 MPa.
Funazukuri T, et al.
International Journal of Thermophysics, 21(6), 1279-1290 (2000)
Phase liquid-vapor equilibria and thermodynamic properties of solutions of n-propanol-aliphatic ketones.
Suntsov YK, et al.
Russian Journal of Physical Chemistry A, 89(6), 926-930 (2015)
Atmospheric chemistry of 2-pentanone and 2-heptanone.
Atkinson R, et al.
Environmental Science & Technology, 34(4), 623-631 (2000)

