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

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Salt

1-Butanol

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Catalog Number

ACM71363

Product Name

1-Butanol

Structure

CAS

71-36-3

Category

Salt

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%

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