50621

tert-Butanol

analytical standard

• Synonym(s): 2-Methyl-2-propanol, tert-Butyl alcohol, Trimethyl carbinol
• Linear Formula: (CH₃)₃COH
• CAS Number: 75-65-0
• Molecular Weight: 74.12
• Beilstein/REAXYS Number: 906698
• EC Number: 200-889-7
• MDL number: MFCD00004464
• UNSPSC Code: 41116107
• PubChem Substance ID: 329757613
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• vapor density: 2.5 (vs air)
• vapor pressure: 31 mmHg ( 20 °C); 44 mmHg ( 26 °C)
• assay: ≥99.8% (GC)
• autoignition temp.: 896 °F
• shelf life: limited shelf life, expiry date on the label
• expl. lim.: 8 %
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• refractive index: n20/D 1.387 (lit.); n20/D 1.387
• bp: 83 °C (lit.)
• mp: 23-26 °C (lit.)
• density: 0.775 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; environmental; flavors and fragrances; food and beverages; personal care
• format: neat
• SMILES string: CC(C)(C)O
• InChI: 1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
• InChI key: DKGAVHZHDRPRBM-UHFFFAOYSA-N

Description

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.

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-mass spectrometry (PTR-ToF-MS)
• 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)

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

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Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H319,H332,H335,H336
• pcodes: P210 - P233 - P240 - P241 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• target_organs: Central nervous system, Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 59.0 °F - closed cup
• flash_point_c: 15 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter