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W273104

4-Methyl-2-pentanone

Name: 4-Methyl-2-pentanone
Brand: ALDRICH

≥99%, FCC

Synonym(s):

Isobutyl methyl ketone, Isopropylacetone, MIBK, Methyl isobutyl ketone

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About This Item

Linear Formula:

(CH₃)₂CHCH₂COCH₃

CAS Number:

108-10-1

Molecular Weight:

100.16

FEMA Number:

2731

Council of Europe no.:

151

UNSPSC Code:

12164502

PubChem Substance ID:

24901295

Flavis number:

7.017

EC Number:

203-550-1

NACRES:

NA.21

MDL number:

MFCD00008938

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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Properties

biological source

synthetic

Quality Level

300, 400

grade

Kosher

agency

meets purity specifications of JECFA

reg. compliance

FDA 21 CFR 172.515, FCC, FDA 21 CFR 117

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

Description

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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pictograms

GHS02,GHS08,GHS07

signalword

Danger

hcodes

H225,H319,H332,H336,H351

pcodes

P202 - P210 - P233 - P304 + P340 + P312 - P305 + P351 + P338 - P308 + P313

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

EUH066

Storage Class

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

Regulatory Information

危险化学品

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Global Trade Item Number

SKU	GTIN
W273104-1KG-K	04061838249074
W273104-8KG-K	04061838180940
W273104-4KG-K	04061838108043
W273104-SAMPLE-K	04061837516245