8.22263

2-Butanol

EMPLURA^®

• Synonym(s): 2-Butanol, sec-Butyl alcohol
• Linear Formula: CH₃CH(OH)CH₂CH₃
• CAS Number: 78-92-2
• Molecular Weight: 74.12
• UNSPSC Code: 12352104
• EC Index Number: 201-158-5
• NACRES: NB.21
• MDL number: MFCD00004569
• Assay: ≥99% (GC)
• Bp: 99-102 °C/1013 hPa
• Vapor pressure: 16.5 hPa ( 20 °C)

Properties

• vapor pressure: 16.5 hPa ( 20 °C)
• Quality Segment: 200
• product line: EMPLURA^®
• assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 390 °C
• potency: 6480 mg/kg LD₅₀, oral (Rat), >2000 mg/kg LD₅₀, skin (Rat)
• expl. lim.: 1.4-9.8 % (v/v)
• dilution: (low-cost alternative, for basic applications)
• impurities: ≤0.2% Water (Karl Fischer)
• pH: 7 (20 °C)
• bp: 99-102 °C/1013 hPa
• mp: -115 °C
• transition temp: flash point 24 °C
• solubility: 125 g/L
• density: 0.81 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: OC(CC)C
• InChI: 1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
• InChI key: BTANRVKWQNVYAZ-UHFFFAOYSA-N

Description

Application

• Machine-Learning-Based Kinetic-Free Hybrid Gray-Box Model to Predict Sulfuric-Acid-Catalyzed Esterification Reaction.: Describes a new machine learning model to optimize the esterification reaction process, which can potentially include the use of 2-butanol as a reactant or solvent (Wen X et al., 2024).



• Dynamic microbial and metabolic changes during Apulian Caciocavallo cheese-making and ripening produced according to a standardized protocol.: This research investigates the role of microbial communities and their metabolic activities in cheese production, where solvents like 2-butanol may be used in analytical methods (Vacca M et al., 2024).



• Interruption of p38(MAPK)-MSK1-CREB-MITF-M pathway to prevent hyperpigmentation in the skin.: Discusses the biochemical pathway involved in skin pigmentation, where 2-butanol may be employed in experimental procedures or as a solvent (Kim SH et al., 2024).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.806 - 0.807
Water (K. F.): ≤ 0.20 %
Identity (IR): passes test

Legal Information

EMPLURA is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H319,H335,H336
• pcodes: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3
• target_organs: Central nervous system, Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk: WGK 1
• flash_point_f: 80.6 °F - closed cup
• flash_point_c: 27 °C - closed cup