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58600

Sigma-Aldrich

4-Methyl-2-pentanone

puriss. p.a., ACS reagent, ≥99.0% (GC)

Synonym(s):

Isobutyl methyl ketone, Isopropylacetone, MIBK, Methyl isobutyl ketone

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About This Item

Linear Formula:
(CH3)2CHCH2COCH3
CAS Number:
Molecular Weight:
100.16
Beilstein:
605399
EC Number:
MDL number:
UNSPSC Code:
12352115
PubChem Substance ID:

grade

ACS reagent
puriss. p.a.

vapor density

3.5 (vs air)

vapor pressure

15.7 mmHg

Assay

≥99.0% (GC)

form

liquid

autoignition temp.

840 °F

expl. lim.

1.2-8 %, 93 °F

impurities

≤0.01% free acid (as CH3COOH)
≤0.1% water

evapn. residue

≤0.001%

refractive index

n20/D 1.395 (lit.)
n20/D 1.396

bp

117-118 °C

mp

−80 °C (lit.)

density

0.801 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg
Ba: ≤0.1 mg/kg
Bi: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.1 mg/kg
K: ≤0.5 mg/kg
Li: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Mo: ≤0.1 mg/kg
Na: ≤0.5 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sr: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

SMILES string

CC(C)CC(C)=O

InChI

1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3

InChI key

NTIZESTWPVYFNL-UHFFFAOYSA-N

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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.

recommended

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Inhalation - Carc. 2 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system

Supplementary Hazards

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

57.2 °F - closed cup

Flash Point(C)

14 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Catalytic behaviors of silica-supported starch-polysulfosiloxane-Pt complexes in asymmetric hydrogenation of 4-methyl-2-pentanone.
Huang K, et al.
Reactive functional Polymers, 50(3), 199-203 (2002)
Excess volumes and viscosities of binary systems containing 4-methyl-2-pentanone.
Fermeglia M, et al.
Journal of Chemical and Engineering Data, 35(3), 260-265 (1990)
H J Shim et al.
Journal of chromatography. B, Biomedical applications, 656(2), 407-414 (1994-06-17)
A high-performance liquid chromatographic method was developed for the simultaneous determination of a new anthracycline, DA-125 (I), and its metabolites (M1, M2, M3, and M4) in rat plasma and urine using fluorescein as an internal standard. Compound I, a prodrug
Ginette Truchon et al.
Journal of occupational and environmental hygiene, 3(3), 137-143 (2006-02-09)
Compartmental and physiologically based toxicokinetic modeling coupled with Monte Carlo simulation were used to quantify the impact of biological variability (physiological, biochemical, and anatomic parameters) on the values of a series of bio-indicators of metal and organic industrial chemical exposures.
David Quesnel et al.
Water research, 39(4), 677-687 (2005-02-15)
An industrial wastewater that was pretreated by an aerobic thermophilic bacterial consortium (THE) was subjected to additional treatability studies by granular activated carbon (GAC) and a conventional activated sludge (CAS). The removal of dissolved organic carbon (DOC) in both systems

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