471712

tert-Butanol

anhydrous, ≥99.5%

• 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: 906698
• Número EC: 200-889-7
• Número MDL: MFCD00004464
• ID de substância PubChem: 57650901
• NACRES: NA.21

Properties

• grau: anhydrous
• Nível de qualidade: 100
• densidade de vapor: 2.5 (vs air)
• pressão de vapor: 31 mmHg ( 20 °C); 44 mmHg ( 26 °C)
• teor: ≥99.5%
• forma: solid or liquid
• temperatura de autoignição: 896 °F
• Lim. expl.: 8 %
• Impurezas: <0.005% water
• resíduo de evaporação: <0.0003%
• índice de refração: n20/D 1.387 (lit.)
• pH: 7 (20 °C)
• pb: 83 °C (lit.)
• pf: 23-26 °C (lit.)
• solubilidade: water: miscible
• densidade: 0.775 g/mL at 25 °C (lit.)
• SMILES string: CC(C)(C)O
• InChI: 1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
• InChI key: DKGAVHZHDRPRBM-UHFFFAOYSA-N

Description

Descrição geral

tert-Butanol (tBA) is a tertiary alcohol. It undergoes dehydration by reactive distillation in the presence of solid acid catalyst to form isobutylene with high selectivity. Lipase-mediated alcoholysis of soybean oil deodorizer distillate (SODD) has been conducted in tBA (as reaction medium) to generate biodiesel. Formation of 2-tert-butyl-p-cresol (TBC), 2,6-di-tert-butyl-p-cresol (DTBC) and tert-butyl-p-tolyl ether has been reported when p-cresol undergoes butylation by tBA in the presence of 12-tungstophosphoric acid supported on zirconia (TPA/ZrO₂) catalyst. The interaction behavior of tBA on the Si (001)-(2×1) surface has been assessed by using the ab-initio density functional theory (DFT) based on pseudopotential approach.

Safety Information

• Pictogramas: GHS02,GHS07
• Palavra indicadora: Danger
• Frases de perigo: H225 - H319 - H332 - H335 - H336
• Declarações de precaução: P210 - P233 - P240 - P241 - P304 + P340 + P312 - P305 + P351 + P338
• Classificações de perigo: Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2
• Código de classe de armazenamento: 3 - Flammable liquids
• WGK: WGK 1
• Ponto de fulgor (ºF): 59.0 °F - closed cup
• Ponto de fulgor (ºC): 15 °C - closed cup
• Equipamento de proteção individual: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter