tert-Butanol
SIAL/50621 - analytical standard
Synonym: 2-Methyl-2-propanol; tert-Butyl alcohol; Trimethyl carbinol
CAS Number: 75-65-0
Empirical Formula (Hill Notation): C4H10O
Molecular Weight: 74.12
EC Number: 200-889-7
MDL Number: MFCD00004464
Linear Formula: (CH3)3COH
Product Type: Chemical
| application(s) | cleaning products cosmetics environmental flavors and fragrances food and beverages personal care |
| assay | ≥99.8% (GC) |
| autoignition temp. | 896 °F |
| bp | 83 °C (lit.) |
| density | 0.775 g/mL at 25 °C (lit.) |
| expl. lim. | 8 % |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C4H10O/c1-4(2,3)5/h5H, |
| InChI key | DKGAVHZHDRPRBM-UHFFFAOYSA |
| mp | 23-26 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CC(C)(C)O |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable | |
| vapor density | 2.5 (vs air) |
| vapor pressure | 31 mmHg ( 20 °C) |
| 44 mmHg ( 26 °C) |
| Application: | The analytical standard can also be used as follows:• Detection and quantification of butanol and its isomers in paint samples by a rapid fast gas chromatography-proton transfer reaction-mass spectrometer (FastGC-PTR-MS) method • Simultaneous assessment of 121 VOCs emitted from 41 cellulose acetate movie films by proton transfer reaction-time-of-flight-m • As an internal standard in the determination of n-butane and its metabolites in the blood, heart, and tissue samples of three autopsy cases that died due to sniffling n-butane and isobutane from portable gas cartridges • Headspace-single drop microextraction (HS-SDME) of VOCs from different types of tomato samples for their quantification by gas chromatography-flame ionization detection (GC-FID) |
| General description: | tert-Butanol is a tertiary alcohol and an isomer of butanol. It is commercially produced from isobutane and is used as a solvent, ethanol denaturant, etc. |
| Other Notes: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
| Recommended products: | 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 - H336 |
| Precautionary statements | P210 - P233 - P240 - P241 - P304 + P340 + P312 - P305 + P351 + P338 |
| Hazard Codes | F,Xn |
| Risk Statements | 11-20-36/37 |
| Safety Statements | 9-16-46 |
| RIDADR | UN1120 - class 3 - PG 2 - Butanols |
| WGK Germany | WGK 1 |
| Flash Point(F) | 59.0 °F - closed cup |
| Flash Point(C) | 15 °C - closed cup |
| Purity | ≥99.8% (GC) |
| bp | 83 °C (lit.) |
| mp | 23-26 °C (lit.) |
| Density | 0.775 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 41116107 |