471712

tert-Butanol

anhydrous, ≥99.5%

• Synonyme(s) : Alcool tert-butylique, Triméthyl-carbinol
• Formule linéaire : (CH₃)₃COH
• Numéro CAS: 75-65-0
• Poids moléculaire : 74.12
• Beilstein: 906698
• Numéro CE : 200-889-7
• Numéro MDL: MFCD00004464
• Code UNSPSC : 12352001
• ID de substance PubChem : 57650901
• Nomenclature NACRES : NA.21
• Qualité: anhydrous
• Essai: ≥99.5%
• pb: 83 °C (lit.)
• Pression de vapeur: 31 mmHg ( 20 °C); 44 mmHg ( 26 °C)

Propriétés

• Qualité: anhydrous
• Niveau de qualité: 100
• Densité de vapeur: 2.5 (vs air)
• Pression de vapeur: 31 mmHg ( 20 °C); 44 mmHg ( 26 °C)
• Essai: ≥99.5%
• Forme: solid or liquid
• Température d'inflammation spontanée: 896 °F
• Limite d'explosivité: 8 %
• Impuretés: <0.005% water
• Résidus d'évap.: <0.0003%
• Indice de réfraction: n20/D 1.387 (lit.)
• pH: 7 (20 °C)
• pb: 83 °C (lit.)
• Pf: 23-26 °C (lit.)
• Solubilité: water: miscible
• Densité: 0.775 g/mL at 25 °C (lit.)
• Chaîne SMILES: CC(C)(C)O
• InChI: 1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
• Clé InChI: DKGAVHZHDRPRBM-UHFFFAOYSA-N

Description

Description générale

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.[1] Lipase-mediated alcoholysis of soybean oil deodorizer distillate (SODD) has been conducted in tBA (as reaction medium) to generate biodiesel.[2] 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.[3] 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.[4]

Application

• Synthesis of Ribose - Oleic Acid Esters in the Presence- and Absence of Candida antarctica Lipase B.: This study investigates the synthesis of ribose-oleic acid esters using tert-Butanol as a solvent, both with and without the presence of Candida antarctica Lipase B. The research explores the efficiency and effectiveness of the enzyme-catalyzed process, highlighting the impact of tert-Butanol on the synthesis reaction. The findings contribute to the understanding of esterification processes in analytical chemistry and have potential applications in developing new synthetic methods (Çetinkaya et al., 2020).

Informations sur la sécurité

• Pictogrammes: GHS02,GHS07
• Mention d'avertissement: Danger
• Mentions de danger: H225,H319,H332,H335,H336
• Conseils de prudence: P210 - P233 - P240 - P241 - P304 + P340 + P312 - P305 + P351 + P338
• Classification des risques: Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• Organes cibles: Central nervous system, Respiratory system
• Code de la classe de stockage: 3 - Flammable liquids
• Classe de danger pour l'eau (WGK): WGK 1
• Point d'éclair (°F): 59.0 °F - closed cup
• Point d'éclair (°C): 15 °C - closed cup
• Équipement de protection individuelle: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter