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. |
| 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 |