2-ETHYLHEXANOYL CHLORIDE

PRODUCT IDENTIFICATION
CAS NO.

760-67-8

2-ETHYLHEXANOYL CHLORIDE

EINECS NO. 212-081-1
FORMULA CH3(CH2)3CHC2H5COCl
MOL WT. 162.66
H.S. CODE 2915.90

SMILES

 

TOXICITY

  
SYNONYMS 2-Ethylcaproic acid chloride; 2-Ethylcaproyl chloride;
2-Ethylhexanoic acid, chloride;

CLASSIFICATION

 

PHYSICAL AND CHEMICAL PROPERTIES
PHYSICAL STATE

Clear to slightly greyish liquid

MELTING POINT  
BOILING POINT 67 - 68 C at 11 mm Hg
SPECIFIC GRAVITY 0.939 C
SOLUBILITY IN WATER Decomposes
pH

 

VAPOR DENSITY  

AUTOIGNITION

 

REFRACTIVE INDEX

 1.4315- 1.4335

NFPA RATINGS

 Health: 3 Flammability: 2 Reactivity: 0
FLASH POINT

69 C

STABILITY Stable under ordinary conditions. Moisture Sensitive.

DESCRIPTION AND APPLICATIONS
Acid chlorides are used as very reactive intermediates to prepare carboxylic acid derivatives including anhydrides, esters and amides because of the two strong electron withdrawing chlorine and oxygen on the carbonyl compound, and positive charge carbon accordingly. It is easy for a weak nucleophile to attack the carbon. Acid chlorides are also reactive with Gilman reagents to prepare large molecules from small ones by replacing the halides with an organic group.  2-Ethylhexanoyl chloride, C-8 acyl chloride, is a clear, corrosive liquid. It reacts with water; it must be protected against moisture, air, light and heat during storage and handling. It is soluble in common aprotic organic solvents including ether, acetone, and acetic acid. It is widely used in the synthesis of fine chemicals, agrochemicals and pharmaceuticals. It is also used as an intermediate for dyes, textile auxiliaries.

Acyl is a radical formed from an organic acid by removal of a hydroxyl group. The general formula of acyl compound is RCO-. Acyl halide is one of a large group of organic substances containing the halocarbonyl group, have the general formula RCO·X, where X is a halogen atom (fluorine, chlorine, bromine, iodine, and astatine) and R may be aliphatic, alicyclic, aromatic, and H etc. In substitutive chemical nomenclature, their names are formed by adding '-oyl' as a suffix to the name of the parent compound; ethanoyl chloride, CH3COCl, is an example. The terms acyl and aroyl halides refer to aliphatic or aromatic derivatives, respectively. Acyl halides are made by replacing the -OH group in carboxylic acids by halogen using halogenating agents. They react readily with water, alcohols, and amines and are widely used in organic synthetic process whereby the acyl group is incorporated into the target molecules by substitution of addition-elimination sequence called acylation reaction.  Acylation reaction involves substitution by an electron donor (nucleophile) at the electrophilic carbonyl group (C=O). Common nucleophiles in the acylation reaction are aliphatic and aromatic alcohols, both of which give rise to esters and amines (RNH2) which give amides. The carboxylic acid (X = OH) itself can function as an acylating agent when it is protonated by a strong acid catalyst as in the direct esterification of an alcohol. Two common acylation agents, with the general formula RCOX, are acid halides (X = halogen atom) and anhydrides (X = OCOR). Schotten-Baumann reaction is an acylation reaction that uses an acid chloride in the presence of dilute alkali to acylate the hydroxyl and amino group of organic compounds. There are also other acylating agents.

SALES SPECIFICATION

APPEARANCE

Clear to slightly greyish liquid

ASSAY

98.0% min

HCl

0.1% max

FREE ACID

0.5% max

TRANSPORTATION
PACKING 190kgs in drum
HAZARD CLASS 8 (Packing group: II)
UN NO. 3265
OTHER INFORMATION
Hazard Symbols: C, Risk Phrases: 34, Safety Phrases: 25-36/37/39-45