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Merck

W273104

4-Methyl-2-pentanone

≥99%, FCC

Synonyme(s) :

Isobutyl methyl ketone, Isopropylacetone, MIBK, Methyl isobutyl ketone

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A propos de cet article

Formule linéaire :
(CH3)2CHCH2COCH3
Numéro CAS:
Poids moléculaire :
100.16
FEMA Number:
2731
Council of Europe no.:
151
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
7.017
EC Number:
203-550-1
NACRES:
NA.21
MDL number:
Beilstein/REAXYS Number:
605399
Organoleptic:
ethereal; fruity; spicy
Grade:
Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens
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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

General description

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

Application


  • Thermodynamic Analysis of Eplerenone in 13 Pure Solvents at Temperatures from 283.15 to 323.15 K.: This study provides a detailed analysis of the solubility behavior and thermodynamics of Eplerenone, offering valuable insights for its application in solvent selection and pharmaceutical formulation (Liu et al., 2024).

  • Development and validation of a high-throughput headspace solid-phase microextraction gas chromatography-mass spectrometry methodology for target and suspect determination of honey volatiles.: This article presents a method for the analysis of volatile compounds in honey, where 4-Methyl-2-pentanone is used to enhance the detection of aroma compounds critical for quality control and authenticity assessments (Gialouris et al., 2023).
  • .

Disclaimer

For R&D or non-EU Food use. Not for retail sale.


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Danger

Hazard Classifications

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

target_organs

Central nervous system

supp_hazards

Classe de stockage

3 - Flammable liquids

wgk

WGK 1

flash_point_f

57.2 °F - closed cup

flash_point_c

14 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter



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Contenu apparenté


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)