4-Methyl-2-pentanone
SIAL/02474 - analytical standard
Synonym: Isobutyl methyl ketone; Isopropylacetone; MIBK; Methyl isobutyl ketone
CAS Number: 108-10-1
Empirical Formula (Hill Notation): C6H12O
Molecular Weight: 100.16
EC Number: 203-550-1
MDL Number: MFCD00008938
Linear Formula: (CH3)2CHCH2COCH3
Product Type: Chemical
| application(s) | cleaning products cosmetics environmental flavors and fragrances food and beverages personal care |
| assay | ≥99.7% (GC) |
| autoignition temp. | 840 °F |
| bp | 117-118 °C |
| density | 0.801 g/mL at 25 °C (lit.) |
| expl. lim. | 1.2-8 %, 93 °F |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C6H12O/c1-5(2)4-6(3)7/ |
| InChI key | NTIZESTWPVYFNL-UHFFFAOYSA |
| mp | −80 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CC(C)CC(C)=O |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable | |
| vapor density | 3.5 (vs air) |
| Application: | MBK may have been used as internal standard in GC/MS analysis for determining off-flavors in milk extracted using solid-phase microextraction, mass spectrometry, and multivariate analysis (SPME-MS-MVA). 4-Methyl-2-pentanone may be used as an analytical reference standard for the quantification of the analyte in hydro-alcoholic matrices using high-performance liquid chromatography with diode array detection. |
| General description: | 4-Methyl-2-pentanone (Methyl isobutyl ketone (MBK)) is an organic solvent widely used in various industrial applications, and exists as a clear colorless liquid with a pleasant odor. It is occasionally found as a volatile component of urine making it a biological marker of occupational exposure to this solvent. It is used as is used as a solvent for gums, resins, paints, varnishes, lacquers, and nitrocellulose. |
| Other Notes: | Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial . |
| Symbol |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225 - H319 - H332 - H335 |
| Precautionary statements | P210 - P233 - P240 - P241 - P304 + P340 + P312 - P305 + P351 + P338 |
| Hazard Codes | F,Xn |
| Risk Statements | 11-20-36/37-66 |
| Safety Statements | 9-16-29 |
| RIDADR | UN1245 - class 3 - PG 2 - Methyl isobutyl ketone |
| WGK Germany | WGK 1 |
| Flash Point(F) | 57.2 °F - closed cup |
| Flash Point(C) | 14 °C - closed cup |
| Supplemental Hazard Statements | EUH066 |
| Purity | ≥99.7% (GC) |
| bp | 117-118 °C |
| mp | −80 °C (lit.) |
| Density | 0.801 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 41116107 |