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W273104

Sigma-Aldrich

4-Methyl-2-pentanone

≥99%, FCC

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Synonym(s):
Isobutyl methyl ketone, Isopropylacetone, MIBK, Methyl isobutyl ketone
Linear Formula:
(CH3)2CHCH2COCH3
CAS Number:
Molecular Weight:
100.16
FEMA Number:
2731
Beilstein:
605399
EC Number:
Council of Europe no.:
151
MDL number:
PubChem Substance ID:
Flavis number:
7.017
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

Kosher

Agency

meets purity specifications of JECFA

reg. compliance

FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

3.5 (vs air)

Assay

≥99%

form

liquid

autoignition temp.

840 °F

expl. lim.

1.2-8 %, 93 °F

refractive index

n20/D 1.395 (lit.)

bp

117-118 °C

mp

−80 °C (lit.)

density

0.801 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

ethereal; fruity; spicy

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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This Item
36051129326102474
4-Methyl-2-pentanone ≥99%, FCC

Sigma-Aldrich

W273104

4-Methyl-2-pentanone

-
4-Methyl-2-pentanone ACS reagent, ≥98.5%

Sigma-Aldrich

360511

4-Methyl-2-pentanone

Essential Grade
4-Methyl-2-pentanone suitable for HPLC, ≥99.5%

Sigma-Aldrich

293261

4-Methyl-2-pentanone

-
4-Methyl-2-pentanone analytical standard

Supelco

02474

4-Methyl-2-pentanone

-
grade

Kosher

grade

ACS reagent

grade

-

grade

analytical standard

agency

meets purity specifications of JECFA

agency

-

agency

-

agency

-

vapor density

3.5 (vs air)

vapor density

3.5 (vs air)

vapor density

3.5 (vs air)

vapor density

3.5 (vs air)

assay

≥99%

assay

≥98.5%

assay

≥99.5%

assay

≥99.7% (GC)

refractive index

n20/D 1.395 (lit.)

refractive index

n20/D 1.395 (lit.)

refractive index

n20/D 1.395 (lit.)

refractive index

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

General description

4-Methyl-2-pentanone has been identified in the volatile fraction of lemon essence, Italian chestnut and crabmeat.

Signal Word

Danger

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

Certificates of Analysis (COA)

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4-Methyl-2-pentanol

Volatile compound analysis of SPME headspace and extract samples from roasted Italian chestnuts (Castanea sativa Mill.) using GC-MS.
Krist S, et al.
Food Sci. Technol., 219(5), 470-473 (2004)
Analysis of crabmeat volatile compounds.
Matiella JE & Hsieh TCY.
Journal of Food Science, 55(4), 962-966 (1990)
Analysis of flavor constituents from lemon and lime essence.
Moshonas MG and Shaw PE.
Journal of Agricultural and Food Chemistry, 20(5), 1029-1030 (1972)
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.
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

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