n-BUTYL ACETATE

PRODUCT IDENTIFICATION

CAS NO.

123-86-4

n-BUTYL ACETATE

EINECS NO.

204-658-1

FORMULA CH3COOC4H9
MOL WT. 116.16
H.S. CODE

2915.39

TOXICITY

Oral rat LD50: > 10000 mg/kg
SYNONYMS Butyl acetate; 1-Acetoxybutane; 1-Butyl acetate;
Acetate de butyle (French); Acetic Acid Butyl Ester; Butile (Acetati Di) (Italian); Butyl Ethanoate; Butylacetat (German); Butylacetate; Butylacetaten (Dutch); Butyle (Acetate De) (French); Butylester Kyseliny Octove (Czech); Octan n-Butylu (Polish); Butyl   Ethanoate;

SMILES

 

CLASSIFICATION

 

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE clear liquid
MELTING POINT -106 C
BOILING POINT

126 C

SPECIFIC GRAVITY

0.882

SOLUBILITY IN WATER Slightly soluble
pH

 

VAPOR DENSITY 4
AUTOIGNITION

 

NFPA RATINGS Health: 1; Flammability: 3; Reactivity: 0

REFRACTIVE INDEX

1.394

FLASH POINT

 

STABILITY Stable under normal conditions.

GENERAL DESCRIPTION & APPLICATIONS

Acetate is the ester that an organic group replaces a hydrogen atom in -OH group of acetic acid through reaction (typically condensation) with alcohols. Condensation is the reaction in which two molecules having -OH groups are joined with eliminating a water molecule from their -OH groups. The term acetate is also for the salt that one or more of the hydrogen atoms of acetic acid are replaced by one or more cations of the base, resulting in a compound containing the negative organic ion of CH3COO-. Organic acetates are good solvents for a broad range of resins as they are miscible with almost all common organic liquids. Due to their powerful solvency, high volatility and mild odor, acetates are widely used in the manufacture and in the processing of paints, coatings, adhesives, and printing industry. They have a very low solubility in water and used as extraction solvents for fine chemicals particularly for certain antibiotics. They are also used as components of aroma. They are used as chemical intermediate to manufacture pharmaceuticals, synthetic flavorings, cleaners, and other organic compounds.
SALES SPECIFICATION

APPEARANCE

Clear liquid

PURITY (GC)

99.0% min

WATER

0.2% max

COLOR (Pt-Co)

15 max

TRANSPORTATION
PACKING 170kgs in drum
HAZARD CLASS 3 (Packing Group: II)
UN NO. 1123
OTHER INFORMATION
Hazard Symbols: F, Risk Phrases: 10, Safety Phrases: 9-16-33
FEMA No: 2174 
GENERAL DESCRIPTION OF SOLVENT
Solvent is a substance, usually a liquid, that acts as a dissolving agent or that is capable of dissolving another substance. In solutions of solids or gases in a liquid, the liquid is the solvent. In all other homogeneous mixtures (i.e., liquids, solids, or gases dissolved in liquids; solids in solids; and gases in gases), solvent is the component of the greatest amount. The minor proportion substances are called solutes. The solvent offers several functions during a chemical reaction. It solves not only the substance that reacts with another one to produce a new set of substances (reactant) but also the compound that supplies the molecule, ion, or free radical, which is considered as the attacking species in a chemical reaction (reagent). The solvent is conductive to collisions between the reactants and reagents to transform the reactants to new products. The solvent also takes roll of temperature control, either to provide the energy of the colliding particles for speedy reaction and to absorb heat in exothermic reaction. The appropriate solvent should be selected based on the inactivity in the reaction conditions, dissolving the reagents as well as reactants, appropriate boiling point and easy removal at the end of the reaction.

Polarity

The most common solvent is water. Other common solvents which dissolve substances that are insoluble (or nearly insoluble) in water are acetone, alcohol, formic acid, acetic acid, formamide. BTX, carbon disulfide, diemthyl sulfoxide, carbon tetrachloride, chloroform, ether, tetrahydrofuran, furfural, hexane and turpentine. They may be classified as polar and non-polar. Polar solvents, like water, have molecules whose electric charges are unequally distributed, leaving one end of each molecule more positive than the other. Usually polar solvent has O-H bond of which water (HOH), (CH3OH) and acetic acid (CH3COOH) are examples. Propanol, butanol, formic acid, formamide are polar solvents. Dipolar solvents which contain a C-O solid bond without O-H bond are acetone [(CH3)2C=O], ethyl acetate (CH3COOCH2CH3), methyl ethyl ketone, acetonitrile, N,N-dimethylformamide and diemthyl sulfoxide. Nonpolar solvents, like carbon tetrachloride (CCl4), benzene (C6H6), and diethyl ether ( CH3CH2OCH2CH3), have molecules whose electric charges are equally distributed and are not miscible with water. Hexane, tetrahydrofuran and methylene chloride are non-polar solvents. Polar solvents are hydrophilic but non-polar solvents are lipophilic. Polar reactants will dissolve in polar solvents. Non-polar solvents dissolve non-polar compounds best. Oil and water don't mix but separate into two layers. There are three measures of the polarity as "dipole moment", "dielectric constant" and "miscibility with water". Though low dipole moments and small dielectric constants indicates non-polar solvents, sharp boundaries between polar and non-polar solvents are not available. The polarity reflects the balance between a polar component (OH) and a non-polar hydrocarbon component, existing in the same molecule. If hydrocarbon character increases relatively, the polarity decreases. On an operational basis, solvents that are miscible with water are polar.

Polar Protic and Dipolar Aprotic

Protic refers to a hydrogen atom attached to an electronegative atom. Protic solvents can donate an H+ (proton) since they contain dissociable H+, such as hydrogen attached to oxygen as in a hydroxyl group, nitrogen as in a amine group. Examples are water, methanol, ethanol, formic acid, hydrogen fluoride and ammonia. Aprotic solvents don't has O-H bond but a C=O bond typically. Examples are acetone [(CH3)2C=O] and ethyl acetate (CH3COOCH2CH3). Polar protic solvents are useful in SN1 reaction, while polar aprotic solvents are SN2 reaction.

Solvents
Boiling point C
Dipole Moment
Dielectric Constant

Density (g/ml)

Polar Protic

Water
100
1.85
80

0.998

Methanol
68
1.70
33

0.791

Ethanol
78
1.69
24.3

0.789

n-Propanol
97
1.68
20.1

0.803

n-Butanol
118
1.66
17.8

0.810

Formic acid
100
1.41
58

1.21

Acetic acid
118
1.74
6.15

1.049

Formamide
210
3.73
109
1.134

Polar Aprotic

Acetone
56
2.88
20.7

0.786

Tetrahydrofuran
66
1.63
7.52

0.886

Methyl ethyl ketone
80
2.78
18.5

0.805

Ethyl acetate
78
1.78
6.02

0.894

Acetonitrile
81
3.92
36.6

0.786

N,N-Dimethylformamide
153
3.82
38.3

0.944

Diemthyl sulfoxide
189
3.96
47.2

1.092

Non-Polar

Hexane
69
-
2.02

0.655

Benzene
80
0
2.28

0.879

Diethyl ether
35
1.15
4.34

0.713

Methylene chloride
40
1.60
9.08

1.326

Carbon tetrachloride
76
0
2.24
1.594

 

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