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| Synonyms:2-Ethylhexanoic acid chloride Ethylcaproyl chloride Isooctanoyl chloride Molecular Formula:C8H15ClO Molecular Weight: 162.66 HS Code: 2915.9 Grade: Industrial grade98% Hazard Class:8 | |||||||||
760-67-8
bosschemical
760-67-8
2-Ethylhexanoyl chloride (CAS 760-67-8) is the acyl chloride of 2-ethylhexanoic acid — a clear, colorless to greyish, moisture-sensitive liquid with the structure CH₃CH₂CH₂CH₂CH(C₂H₅)C(=O)Cl. It is a highly reactive acylating agent: the −C(=O)Cl group transfers the branched 2-ethylhexanoyl group to alcohols, amines and thiols to give esters, amides and thioesters, releasing hydrogen chloride. This makes it a versatile building block in fine-chemical synthesis — from carbohydrate derivatives and bioactive intermediates to the branched side chains of photovoltaic (PBDTTT-type) polymers — as well as a processing chemical in plastics manufacturing. Supplied in industrial and fine-chemical grades, packed under dry, inert conditions with full COA.
Core value propositions:
● High-Purity Acyl Chloride: clean, efficient transfer of the 2-ethylhexanoyl group;
● Branched Alkyl Tail: the same 2-ethylhexyl motif used across fine chemicals and polymers;
● Versatile Intermediate: esters, amides and thioesters from one reagent;
● Reliable Supply: dry, inert-packed drums and drums-to-labs packaging with full COA.
Item | Specification |
Chemical Name | 2-Ethylhexanoyl chloride (2-ethylhexanoyl chloride) |
Synonyms | 2-Ethylcaproyl chloride; 2-ethylcaproic acid chloride; 2-ethylhexanoic acid chloride; 2-EHCL |
CAS No. | 760-67-8 |
EC No. | 212-081-1 |
Molecular Formula | C₈H₁₅ClO |
Molecular Weight | 162.66 g/mol |
Appearance | Clear, colorless to greyish liquid; pungent, irritating odor |
Solubility | Reacts with water (hydrolysis); soluble in most organic solvents; density ≈ 0.939 g/mL at 25 °C |
Assay | Per COA (typical ≥ 98%; |
Grades | Industrial grades; |
2-Ethylhexanoyl chloride is the acyl chloride of the branched acid 2-ethylhexanoic acid: a linear hexanoyl backbone bearing an ethyl branch at the α (2-) carbon, terminating in an acyl chloride group —C(=O)Cl (SMILES CCCCC(CC)C(=O)Cl). The acyl chloride functionality is one of the most electrophilic carbonyl derivatives: the electron-withdrawing chlorine makes the carbonyl carbon strongly susceptible to nucleophilic attack, and chloride is an excellent leaving group, so alcohols, amines and thiols readily undergo nucleophilic acyl substitution to form esters, amides and thioesters, releasing hydrogen chloride. The branched 2-ethyl alkyl tail is hydrophobic and sterically moderate, giving derivatives useful solubility and processing behavior. The compound is a low-freezing liquid (melting below −75 °C), essentially immiscible with water, with which it reacts exothermically (hydrolysis to 2-ethylhexanoic acid and HCl); it is soluble in common organic solvents, moisture-sensitive, and must be stored dry and cool.
● Efficient acylating agent: clean ester, amide and thioester formation with good yields.
● Branched hydrophobic tail: imparts solubility and compatibility in formulated derivatives.
● High assay: tight quality control with assay by titration on every batch.
● Multi-industry relevance: fine chemicals, polymer side-chains and plastics processing.
● Reliable documentation: COA, SDS and dry-sealed packaging for safe logistics.
5.1 Acylation Reagent for Ester & Amide Synthesis (Core Application)
2-Ethylhexanoyl chloride is a reactive acyl chloride used to introduce the 2-ethylhexanoyl group in organic production:
● Ester formation: reaction with alcohols and polyols to form esters of 2-ethylhexanoate.
● ●Amide synthesis: acylation of amines to give amide intermediates and derivatives.
● ●Thioester synthesis: synthesis of carbohydrate derived thioesters and related sulphur containing compounds.
● General acylation: protection and functionalization steps in multi-step synthesis.
5.2 Fine Chemical & Bioactive Intermediates
The reagent is a synthetic building block for the preparation of complex fine-chemical targets:
● Carbohydrate derivatives. Used in the preparation of functionalised thioglucopyranoside derivatives.
● ●Bioactive intermediates Acylated scaffolds for medicinal and bio-organic research.
● ●Heterocyclic and functionalised molecules 2-ethylhexanoyl group as a solubility enhancing substituent.
5.3 Photovoltaic & Functional Polymer Building Blocks
The branched 2-ethylhexanoyl group has been introduced in advanced polymer chemistry:
● PBDTTT-type photovoltaic polymers: side chain precursor for the synthesis of donor-acceptor copolymers for organic photovoltaics.
● Functional polymers: Incorporates branched solubilising side chains into conjugated and speciality polymers.
● •Copolymer Synthesis: Acylated intermediates for controlled polymer architecture.
5.4 Plastics & Industrial Processing
Beyond research quantities, the chemical participates in industrial organic-chemical and plastics processing:
● Basic organic chemical manufacturing: intermediate for downstream derivatives.
● Plastics product manufacturing: acylating feedstock for additives and polymer auxiliaries.
● Industrial processing: bulk handling in fine-chemical production lines.
5.5 Laboratory & Research Applications
A well-characterized standard reagent in synthesis laboratories:
● Research reagent: standard acyl chloride for method development and derivatization.
● Reference substance: documented spectral and physical data for analytical use.
● Screening chemistry: rapid ester/amide libraries for discovery programs.
Packaging (customizable):
● Standard: 25 kg or 200 kg HDPE drums
Storage:
● Store below +30 °C in a cool, dry, well-ventilated area, away from moisture and water.
● Keep containers tightly closed; the product reacts with water and is moisture-sensitive.
● Keep away from heat, ignition sources and incompatible materials (strong bases, oxidizers).
● Recommended shelf life under dry storage: check COA
Handling & Safety (per SDS):
● Corrosive liquid: wear chemical-resistant gloves, protective clothing and full face/eye protection;
● Respiratory protection required — inhalation can be fatal; use local exhaust and respiratory protection;
● Avoid contact with water — violent hydrolysis releases hydrogen chloride;
● Do not discharge to waterways — collect and dispose of per local regulations.
Transport:
● Dangerous goods: UN 3265, Corrosive liquid, acidic, organic, n.o.s., Class 8, Packing Group II — transport per applicable dangerous-goods regulations;
● Full documentation (COA, SDS, packing list, commercial invoice) with every order.
● Factory-direct supply: own sourcing and distribution capability, transparent pricing, no middleman markup.
● Stable quality: every batch tested (assay by titration, density, refractive index, appearance), COA with every shipment.
● Fast response: quotations and technical support; small trial orders accepted.
Q1: What is 2-ethylhexanoyl chloride used for?
2-Ethylhexanoyl chloride is a reactive acylating agent that transfers the branched 2-ethylhexanoyl group to alcohols, amines and thiols, forming esters, amides and thioesters. It is used in fine-chemical and carbohydrate-derivative synthesis, as a side-chain building block for photovoltaic (PBDTTT-type) and functional polymers, and as a processing chemical in basic organic chemical and plastics manufacturing.
Q2: How reactive is 2-ethylhexanoyl chloride?
Very reactive. The acyl chloride group is strongly electrophilic, so alcohols, amines and thiols react readily to give the corresponding ester, amide or thioester with release of hydrogen chloride. With water it hydrolyzes exothermically to 2-ethylhexanoic acid and HCl, which is why the product must be kept strictly dry and handled with full protective equipment.
Q3: Is 2-ethylhexanoyl chloride the same as octanoyl chloride?
No — they are isomers. Both have the formula C₈H₁₅ClO, but 2-ethylhexanoyl chloride is branched (an ethyl branch on the α-carbon of the hexanoyl chain), while octanoyl chloride (n-octanoyl chloride) is a straight-chain compound. The branched structure gives different physical properties and different derivative behavior. Specify the exact product name and CAS 760-67-8 when ordering.
Q4: How should it be stored and handled?
Store below +30 °C, tightly sealed, in a dry area away from water and moisture — the product is moisture-sensitive and hydrolyzes exothermically. Handle as a corrosive liquid: chemical-resistant gloves, protective clothing, full face/eye protection and respiratory protection (inhalation can be fatal). It is classified as dangerous goods UN 3265, Class 8, Packing Group II for transport.
