537993

1-Butanol

99.9%

• Synonym(s): n-Butanol, Butyl alcohol
• Linear Formula: CH₃(CH₂)₃OH
• CAS Number: 71-36-3
• Molecular Weight: 74.12
• Beilstein/REAXYS Number: 969148
• EC Number: 200-751-6
• MDL number: MFCD00002964
• UNSPSC Code: 12352001
• PubChem Substance ID: 329757999
• NACRES: NA.21

Properties

• vapor density: 2.55 (vs air)
• Quality Level: 100
• vapor pressure: 5.5 mmHg
• assay: 99.9%
• form: liquid
• autoignition temp.: 649 °F
• expl. lim.: 11.2 %
• impurities: ≤0.005% Acidity (as Acetic acid); ≤0.020% n-Butyraldehyde; ≤0.05 mg/mL Nonvolatile matter; ≤0.050% Carbonyl (as C=O); ≤0.1% water (Karl Fischer); ≤0.100% Di-n-butyl ether; ≤0.100% Isobutyl alcohol
• color: APHA: ≤10
• refractive index: n20/D 1.399 (lit.)
• pH: 7 (20 °C, 70 g/L)
• bp: 116-118 °C (lit.)
• mp: −90 °C (lit.)
• solubility: water: soluble
• density: 0.81 g/mL at 25 °C (lit.)
• cation traces: Fe: ≤0.3 ppm
• SMILES string: CCCCO
• InChI: 1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
• InChI key: LRHPLDYGYMQRHN-UHFFFAOYSA-N

Description

General description

1-Butanol is an industrial solvent that can be obtained either from petroleum feedstock or by biomass fermentation. Some of its characteristic properties include high energy content, low vapor pressure and a better capability to combine with gasoline. Synthesis of di-n-butyl ether (DBE) in a fixed-bed flow reactor via dehydration of 1-butanol in the presence of γ-alumina, zeolites, and Amberlyst ion-exchange resins has been investigated. Its thermophysical properties have been calculated. Formation of fatty acid butyl esters (FABE) via transesterification of rapeseed and jatropha oil with 1-butanol in the presence of acid catalyst has been studied under varying conditions.

Application

1-Butanol may be used for the esterification of lactic acid in the presence of lipase from Candida antarctica and hexane solvent.

Other Notes

Go to our BioRenewable Alternative 1-Butanol - 901351

Safety Information

• pictograms: GHS02,GHS05,GHS07
• signalword: Danger
• hcodes: H226,H302,H315,H318,H335,H336
• pcodes: P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Central nervous system, Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 95.0 °F - Pensky-Martens closed cup
• flash_point_c: 35 °C - Pensky-Martens closed cup