CAS 71-36-3 1-Butanol - Materials / Alfa Chemistry

NAVIGATION

1-Butanol

PRICE INQUIRY

Catalog Number

ACM71363

CAS Number

71-36-3

Product Name

1-Butanol

Structure

Category

Salt; Solubility Enhancing Reagents

Synonyms

Butyl alcohol

Description

N-butyl alcohol is a colorless liquid. Used in organic chemical synthesis, plasticizers, detergents, etc.;Liquid; WetSolid;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;colourless, mobile liquid/vinous odour;Colorless liquid with a strong, characteristic, mildly alcoholic odor.;Colorless liquid with a strong, characteristic, mildly alcoholic odor.

IUPAC Name

butan-1-ol

Molecular Weight

74.12

Molecular Formula

C4H10O

Canonical SMILES

CCCCO

InChI

InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

InChI Key

LRHPLDYGYMQRHN-UHFFFAOYSA-N

Boiling Point

243.9 °F at 760 mm Hg (USCG, 1999);117.85 °C;117.6 °C;117 °C;243°F;243°F

Melting Point

-129 °F (USCG, 1999);-89.8 °C;Fp -90 °;-88.6 °C;-89.8°C;-90 °C;-129°F;-129°F

Flash Point

84 °F (USCG, 1999);98 °F, 37 °C (closed cup);Flash point: 28.89 degrees C, closed cup;29 °C c.c.;84°F;84°F

Density

0.81 at 68 °F (USCG, 1999);d15 0.81;0.8098 at 20 °C/4 °C;Relative density (water = 1): 0.81;0.807-0.809;0.81;0.81

Solubility

9 % (NIOSH, 2016);0.85 M;63.2 mg/mL at 25 °C;In water, 68 g/L at 25 °C;In water, 6.32X10+4 mg/L at 25 °C;Miscible with many organic solvents;Very soluble in acetone; miscible with ethanol and ethyl ether;> 10% in benzene;63.2 mg/mL at 25 °C;Solubility in water, g/100ml at 20 °C: 7.7;miscible with alcohol, ether, organic solvents, 1 ml in 15 ml water;9%

Application

1-Butanol serves a crucial role as a versatile solvent and intermediate in various industrial applications. This colorless, flammable liquid, known for its strong alcoholic odor, acts as an effective solvent for fats, waxes, resins, shellac, and other substances, facilitating the manufacture of products like paints, varnishes, lacquers, and synthetic resins. Additionally, 1-butanol is pivotal in the production of detergents, butyl compounds, rayon, and more. Its use extends to the preparation of paraffin embedding materials in microscopy and the creation of items such as artificial leather, rubber, plastic cements, raincoats, perfumes, and photographic films. Despite its wide usage, it is important to note that 1-butanol is incompatible with strong acids, oxidizing agents, and certain metals, necessitating careful handling in industrial settings.

Color/Form

Colorless liquid

Complexity

Corrosivity

Attack some forms of plastics, rubber, and coatings

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

200-751-6;238-128-6;227-006-8

Exact Mass

74.0731

Formal Charge

Heat of Vaporization

52.35 kJ/mol at 25 °C

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

ICSC Number

0111

Isotope Atom Count

Log P

0.88 (LogP);0.88;log Kow = 0.88;0.88;0.9

MeSH Entry Terms

1 Butanol;1-Butanol;Alcohol, Butyl;Alcohol, n-Butyl;Butyl Alcohol;n Butanol;n Butyl Alcohol;n-Butanol;n-Butyl Alcohol

Monoisotopic Mass

74.0731

NSC Number

62782

Odor

HARSH FUSEL ODOR WITH BANANA;Odor similar to amyl alcohol;Rancid, sweet;Strong characteristic, mildly alcoholic odor

Other Experimental

Highly refractive liquid;Leaves transitory greasy spot on paper.;PERCENT IN SATURATED AIR 0.86 (25 °C); DENSITY OF SATURATED AIR: 1.01 (AIR= 1);Heat of fusion: 125.2 J/g;Saturation concentration in air 20 g/cu m at 20 °C; 39 g/cu m at 30 °C;Liquid heat capacity = 0.566 BTU/lb-F at 75 °F; Liquid thermal conductivity = 1.028 BTU-inch/hr-sq ft-F at 75 °F; Saturated vapor density = 0.00145 lb/cu ft at 75 °F; Ideal gas heat capacity = 0.354 BTU/lb-F at 75 °F;Ionization potential = 10.01 eV;Observed and estimated solubility of naphthalene in 1-butanol at 40 °C: 0.116 mole fraction (observed) & 0.111 mole fraction (estimated);Coefficient of cubical expansion: 0.00093/deg C, 0.00052/deg F; specific heat of liquid: 0.563 cal/g at 20 °C; wt/gal: 6.756 lb at 20 °C;Forms binary azeotropes with 1-bromo-3-methylbutane, butyl acetate, butyl ether, butyl formate, butyl vinyl ether, camphene, chlorobenzene, 1-chloro-3-methylbutane, cyclohexane, cyclohexene, dibutyl ether, 1,3-dimethylcyclohexane, 2,5-dimethylhexane, ethyl borate, ethyl butyrate, ethyl carbonate, ethyl isobutyrate, heptane, hexane, 2-hexanone, 3-hexanone, 1-iodo-3-methylbutane, isoamyl formate, isobutyl acetate, isobutyl ether, isopropyl isobutyrate, isopropyl sulfide, methylcyclohexane, methylcyclopentane, methyl isovalerate, 4-methyl-2-pentanone, octane, paraldehyde, alpha-pinene, pyridine, styrene, tetrachloroethylene, toluene, o-xylene, p-xylene;Forms ternary azeotropes with water, butyl acetate; water, butyl chloroacetate; water, butyl ether; water, butyl formate; water, carbon tetrachloride;Dielectric constant: 17.8 at 20 °C; 8.2 at 118 °C; dipole moment: 1.66 (gas, at 20 °C in benzene);Enthalpies of formation: -78.18 kcal/mole (liquid); -65.65 kcal/mole (gas);Gibbs (free) energies of formation: -38.84 kcal/mole (liquid); -36.04 kcal/mole (gas);Entropies: 54.1 cal/deg-mole (liquid); 86.7 cal/deg-mole (gas);Heat capacities: 42.31 cal/deg-mole (liquid); 26.29 cal/deg-mole (gas);Electrical conductivity: 9.12X10-9/ohm.cm;Diffusion coefficient: 0.025 sq m/hr in air at 0 °C and 1 atm;Burns with strongly luminous flame.;Henry's Law constant = 8.8X10-6 atm-cu m/mole at 25 °C;Hydroxyl radical reaction rate constant = 8.3X10-12 cu cm/molecule-sec at 25 °C

Refractive Index

n20D 1.3971;Index of refraction: 1.3993 at 20 °C/D;1.393-1.404

Rotatable Bond Count

RTECS Number

EO1400000

Topological Polar Surface Area

20.2 Å²

UNII

8PJ61P6TS3

UN Number

1120;1120;1120;1120;1120

Vapor Density