2-Methyl-1-propanol
SIAL/82059 - analytical standard
Synonym: Isobutanol; Isobutyl alcohol
CAS Number: 78-83-1
Empirical Formula (Hill Notation): C4H10O
Molecular Weight: 74.12
EC Number: 201-148-0
MDL Number: MFCD00004740
Linear Formula: (CH3)2CHCH2OH
Product Type: Chemical
| application(s) | cleaning products cosmetics environmental flavors and fragrances food and beverages personal care |
| assay | ≥99.8% (GC) |
| autoignition temp. | 801 °F |
| bp | 108 °C (lit.) |
| density | 0.803 g/mL at 25 °C (lit.) |
| expl. lim. | 10.6 % |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C4H10O/c1-4(2)3-5/h4-5 |
| InChI key | ZXEKIIBDNHEJCQ-UHFFFAOYSA |
| mp | −108 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CC(C)CO |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable | |
| vapor density | 2.55 (vs air) |
| vapor pressure | 8 mmHg ( 20 °C) |
| 8.8 mmHg ( 0 °C) |
| Application: | 2-Methyl-1-propanol may be used as an analytical reference standard for the quantification of the analyte in environmental samples using gas chromatography-optical fiber (GC-OF) technique and the obtained analytical results were compared with gas chromatography-flame ionization detector (GC-FID) technique. It may also be used as an analytical reference standard for the quantification of the analyte as decomposition products of alkyl nitrites in biological fluids using capillary gas chromatography (GC) with cryogenic oven trapping. |
| Application: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
| General description: | 2-Methyl-1-propanol can be obtained via hydroformylation of alkenes with fuel gas mixture in particular, carbon monoxide being the main reactant. |
| General description: | 2-Methyl-1-propanol is a potential biofuel, which can be obtained as a major product in the yeast, Saccharomyces cerevisiae using glycine as a substrate through the glycine degradation pathway. It can also be obtained from the disaccharide, cellobionic acid (CBA) in Escherichia coli, via the ascB gene, which is primarily responsible for the CBA metabolism in E.coli. |
| Symbol |    GHS02,GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H226 - H315 - H318 - H335 - H336 |
| Precautionary statements | P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 10-37/38-41-67 |
| Safety Statements | 7/9-13-26-37/39-46 |
| RIDADR | UN1212 - class 3 - PG 3 - Isobutanol |
| WGK Germany | WGK 1 |
| Flash Point(F) | 82.4 °F - closed cup |
| Flash Point(C) | 28 °C - closed cup |
| Purity | ≥99.8% (GC) |
| bp | 108 °C (lit.) |
| mp | −108 °C (lit.) |
| Density | 0.803 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 41116107 |