Isooctanoic Acid

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Isooctanoic Acid
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2-Ethylhexanoic Acid (2-EHA / Isooctanoic Acid, CAS 149-57-5) is a branched C8 carboxylic acid (purity ≥99.0%, AV 385–392 mg KOH/g) and the global standard precursor for metal 2-ethylhexanoate (octoate) salts — cobalt, zirconium, zinc, calcium, tin, bismuth, and neodymium octoates for alkyd driers, PU catalysts, PVC stabilisers, and organometallic catalysis. Regulatory note: classified EU CLP Repr. 1B (H360D), US EPA HAP-listed, REACH SVHC candidate. Sinolook supplies from China with full Repr. 1B documentation package.
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2-Ethylhexanoic Acid (2-EHA / Isooctanoic Acid)

Branched C8 Carboxylic Acid · Metal Salt Precursor · Purity ≥99.0% · 2-EHA Supplier from China · Full Repr. 1B Regulatory Documentation

Purity ≥99.0% AV 385–392 mg KOH/g 180 KG Drum / IBC 1000 KG MOQ: 1 MT COA Acid Value Per Batch

⚠ Regulatory Notice - EU CLP Repr. 1B (H360D) Reproductive Toxicant · US EPA HAP-Listed · REACH SVHC Candidate

1. EU CLP Repr. 1B (H360D) - Reproductive Toxicant Category 1B: 2-Ethylhexanoic acid (CAS 149-57-5) is classified as a reproductive toxicant Category 1B (may damage the unborn child) under EU CLP Regulation 1272/2008 - the highest confirmed reproductive toxicant category. Mandatory hazard labelling, reproductive health risk assessment for workers of childbearing potential, and exclusion of pregnant workers from 2-EHA exposure are required. All EU-market products containing ≥0.3% 2-EHA must bear Repr. 1B labelling.

2. US EPA Hazardous Air Pollutant (HAP) - Listed: 2-EHA is listed as a HAP under Clean Air Act Section 112(b). US facilities using 2-EHA above threshold quantities are subject to MACT/NESHAP emission monitoring, reporting, and control requirements.

3. REACH SVHC Candidate & Metal Salt Derivatives: 2-EHA's Repr. 1B classification supports its SVHC candidate status under REACH. Metal 2-ethylhexanoate salts derived from 2-EHA - including cobalt 2-ethylhexanoate - carry their own Repr. 1B designations. Buyers synthesising metal salt derivatives must assess the regulatory status of each derivative independently. See: ECHA substance page for CAS 149-57-5 →

ℹ Nomenclature - 2-Ethylhexanoic Acid vs Isooctanoic Acid

CAS 149-57-5 is correctly identified by its IUPAC name 2-ethylhexanoic acid (2-EHA). The term 'isooctanoic acid' is a common trade name widely used in the Chinese chemical industry (GB/T standards), but it is technically ambiguous - it could refer to any of several branched C8 carboxylic acid isomers. In all international trade documentation, REACH filings, US EPA HAP reporting, TSCA submissions, and safety data sheets, the correct designations are '2-ethylhexanoic acid' and CAS 149-57-5. Always use the CAS number and IUPAC name in procurement contracts, customs declarations, and regulatory filings.

ℹ 2-EHA as Metal Salt Precursor - Driers, Catalysts & Organometallic Compounds

The largest global use of 2-EHA is as the acid precursor for metal 2-ethylhexanoate (octoate) salts. The 2-ethylhexanoate anion provides a branched C8 carboxylate ligand that makes metal salts oil-soluble, thermally stable, and highly effective as catalysts and driers. Key derivatives: Cobalt octoate (primary alkyd through-drier) · Zirconium octoate (surface drier, cobalt replacement) · Zinc octoate (auxiliary drier) · Tin octoate (T-9) (PU catalyst) · Bismuth octoate (non-Co/Sn PU catalyst) · Neodymium octoate (Ziegler-Natta catalyst). Note: cobalt 2-ethylhexanoate carries its own separate Repr. 1B + SVHC classification - buyers must assess each derivative independently.

What Is 2-Ethylhexanoic Acid (2-EHA / Isooctanoic Acid)?

2-Ethylhexanoic acid (2-EHA, CAS 149-57-5), widely known in the Chinese chemical industry as isooctanoic acid (异辛酸), is a branched-chain saturated C8 carboxylic acid of molecular formula C₈H₁₆O₂ and molecular weight 144.21 g/mol. Its structure - CH₃(CH₂)₃CH(C₂H₅)COOH - features an ethyl substituent at the alpha carbon, distinguishing it from straight-chain octanoic acid (caprylic acid, CAS 124-07-2) and conferring complete liquid state at ambient temperature, very slight water solubility (~0.1 g/L), excellent oil miscibility, and the ability to form stable oil-soluble metal carboxylate salts. Complete physicochemical data from NCBI PubChem (CID 8724) and the ECHA substance information page.

2-EHA is produced industrially via the Oxo process: hydroformylation of propylene to butyraldehyde, followed by aldol condensation to 2-ethylhexenal, hydrogenation to 2-ethylhexanal, and air oxidation to 2-EHA. This route directly couples 2-EHA production to the very large global 2-ethylhexanol (2-EH) infrastructure - explaining commodity-scale availability and competitive pricing. The alpha-branched structure prevents crystalline packing, keeping 2-EHA liquid at ambient temperature with a pour point well below 0°C.

The acid value specification deserves specific attention for metal octoate synthesis: the theoretical AV for 100% pure 2-EHA (MW 144.21) is 56,100 / 144.21 = 389 mg KOH/g. Sinolook's specification of 385–392 mg KOH/g brackets this value. For precise metal octoate stoichiometry, always use the batch COA acid value - not the nominal 389 - as a 5 mg KOH/g AV variation corresponds to ~1.3% variation in calculated 2-EHA charge, directly affecting metal content and free acid in the product.

2-EHA is classified as Repr. 1B (H360D) under EU CLP and as a US EPA Hazardous Air Pollutant. The Repr. 1B classification propagates through 2-EHA's derivatives: cobalt 2-ethylhexanoate carries its own separate Repr. 1B + SVHC designation. The EPA CompTox Dashboard confirms HAP listing and TSCA inventory status.

Product Specifications

Reference data from PubChem CID 8724 and EPA CompTox Dashboard.

Parameter Specification / Value
Product Name 2-Ethylhexanoic Acid (2-EHA / Isooctanoic Acid / 2-Ethyl Hexanoic Acid / Octoic Acid)
CAS Number 149-57-5
EC Number 205-743-6
Molecular Formula C₈H₁₆O₂
Molecular Weight 144.21 g/mol
Structure CH₃(CH₂)₃CH(C₂H₅)COOH - 2-ethyl-substituted hexanoic acid
Appearance Colorless to Pale Yellow Transparent Liquid
Purity ≥99.0%
Acid Value 385–392 mg KOH/g (theoretical 389 mg KOH/g for 100% 2-EHA - use COA value for octoate stoichiometry)
Color (Pt-Co) ≤50
Density (d20) 0.902–0.906 g/cm³
Boiling Point 228–230°C (760 mmHg)
Flash Point ~116°C (closed cup) - Combustible Liquid (Class III-B)
Refractive Index ~1.424–1.426 (n20/D)
Viscosity (20°C) ~6–8 mPa·s
Water Solubility ~0.1 g/L at 20°C (very slightly soluble); fully miscible with most organic solvents and oils
pKa ~4.8 (weak carboxylic acid)
EU CLP Classification ⚠ Repr. 1B (H360D) - Reproductive Toxicant Category 1B
US HAP Status ⚠ HAP-listed - Clean Air Act Section 112(b)
REACH SVHC ⚠ Candidate List - verify current status via ECHA before EU procurement
TSCA Inventory ✓ Listed
Packing 180 KG / Steel Drum; IBC Tank (1,000 KG)
Storage 5–30°C; sealed metal or HDPE drums; ventilated; away from bases; 12-month shelf life

Applications of 2-Ethylhexanoic Acid (2-EHA / Isooctanoic Acid)

2-EHA's industrial use is almost entirely as an acid precursor for metal 2-ethylhexanoate (octoate) salt synthesis - the 2-ethylhexanoate ligand's branched C8 structure gives metal octoates their defining combination of oil solubility, thermal stability, and catalytic activity. Direct use as a monomer in alkyd and polyester synthesis is a secondary but commercially significant application.

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Metal Driers

Metal Drier Synthesis for Alkyd Coatings

Acid precursor for cobalt, zirconium, calcium, zinc, and manganese 2-ethylhexanoate driers used in air-drying alkyd and oil-modified PU coatings. 2-EHA's branched C8 carboxylate provides the oil solubility, thermal stability, and metal coordination geometry required for catalytic autoxidative drying. The single largest global application by volume.

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PU Catalysts

Polyurethane Catalyst Synthesis

Precursor for tin 2-ethylhexanoate (stannous octoate, T-9), bismuth 2-ethylhexanoate, and zinc 2-ethylhexanoate - organotin-free and tin-reducing PU catalysts for flexible foam, rigid foam, CASE (coatings, adhesives, sealants, elastomers), and TPU applications. Bismuth octoate is the leading drop-in tin replacement with superior regulatory profile.

🏭
Alkyd Resin

Alkyd & Polyester Resin Monomer

Direct acid monomer incorporated into alkyd and oil-modified polyester resin backbones to introduce flexibility, reduce crystallinity, improve aliphatic solvent solubility, and extend open time of air-drying formulations. Supports compliance with increasingly restrictive VOC regulations requiring more aliphatic and less aromatic solvent content.

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PVC Stabiliser

PVC Heat Stabiliser Synthesis

Acid component in calcium-zinc 2-ethylhexanoate and organotin 2-ethylhexanoate PVC heat stabilisers. 2-EHA-based Ca-Zn stabilisers provide effective HCl scavenging and lubrication in PVC processing for rigid and flexible PVC profiles, films, and compounds - as part of the shift away from lead-based and organotin stabilisers under EU RoHS.

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Lubricants

Synthetic Lubricant & Ester Synthesis

Raw material for di-2-ethylhexyl sebacate (DOS), di-2-ethylhexyl adipate (DOA), and synthetic ester base oils. 2-EHA's branched structure contributes low pour point, oxidative stability, and viscosity retention at high temperatures in automotive and industrial lubricant applications.

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Organometallics

Organometallic & Coordination Chemistry

Versatile ligand-acid precursor for a broad range of metal 2-ethylhexanoate coordination compounds - cerium, neodymium, lanthanum octoates for Ziegler-Natta polymerisation; vanadium octoate for EPDM synthesis; rare earth octoates for ring-opening polymerisation of lactones and epoxides.

Metal Octoate Derivatives - Reference Guide

Primary metal 2-ethylhexanoate compounds synthesised from 2-EHA. Regulatory status of derivatives must be verified independently. Reference: ECHA - Cobalt 2-ethylhexanoate (CAS 136-52-7) →

Metal Salt CAS Metal % Primary Function Regulatory Note
Cobalt 2-ethylhexanoate 136-52-7 6–12% Co Primary through-drier (alkyd) Repr. 1B ⚠ · SVHC
Zirconium 2-ethylhexanoate 22464-99-9 6–18% Zr Surface drier; cobalt replacement Lower regulatory burden ✓
Zinc 2-ethylhexanoate 136-53-8 8–18% Zn Auxiliary drier; anti-skinning Lower regulatory burden ✓
Calcium 2-ethylhexanoate 4394-85-8 4–10% Ca Through-drier activator Lower regulatory burden ✓
Tin 2-ethylhexanoate (T-9) 301-10-0 ~28% Sn PU and silicone catalyst Tin compounds regulated ⚠
Bismuth 2-ethylhexanoate 67874-71-9 ~20% Bi Non-Co/Sn PU catalyst (drop-in Sn replacement) Favourable regulatory profile ✓
Manganese 2-ethylhexanoate 13434-94-1 6–10% Mn Auxiliary drier; cobalt alternative Cobalt replacement ✓
Neodymium 2-ethylhexanoate 13736-24-8 ~18% Nd Polymerisation catalyst (Nd-Ziegler) Specialty catalysis

Metal percentage ranges are indicative of typical commercial grades. Regulatory status of metal derivatives must be verified independently - some carry additional CMR, SVHC, or restriction designations beyond 2-EHA itself. Sinolook provides comparative regulatory summaries for major metal octoate derivatives on request.

Metal Drier Synthesis - Core Global Application & Cobalt Replacement Strategy

Alkyd coating cure proceeds by autoxidative crosslinking: atmospheric oxygen generates alkyl radicals and peroxides that crosslink polymer chains into a hard film. Metal octoate driers catalyse this autoxidation by cycling between metal oxidation states, decomposing peroxides and generating radicals that accelerate both initial oxygen absorption and subsequent crosslinking. The standard drier hierarchy uses cobalt octoate as the primary through-drier - but cobalt 2-ethylhexanoate's own Repr. 1B + SVHC designation under REACH is driving systematic formulation substitution toward non-cobalt alternatives.

Zirconium 2-ethylhexanoate and manganese 2-ethylhexanoate - both produced from 2-EHA - are the primary non-cobalt replacements. Zirconium octoate functions as both a surface drier and polymeric crosslinker for alkyd and acrylic hybrid coating systems; manganese octoate provides primary through-drying activity at higher loading levels. The regulatory driver for cobalt replacement directly increases demand for zirconium and manganese octoates, and therefore for the 2-EHA required to synthesise them. Sinolook's consistent acid value (COA-verified per batch) supports the batch-to-batch drier performance reproducibility that is critical during the transition to non-cobalt drier systems.

Regulatory Status - Full Multi-Jurisdiction Summary

Jurisdiction / Framework Status Key Obligation
EU CLP ⚠ Repr. 1B (H360D) Mandatory Repr. 1B labelling; reproductive health risk assessment for workers; pregnant workers excluded
EU Mixture Labelling ⚠ ≥0.3% in mixture triggers Repr. 1B labelling Formulators must calculate 2-EHA concentration in every downstream mixture; notify supply chain
REACH SVHC ⚠ Candidate List - verify current status If listed as SVHC at >0.1% in articles, downstream supply chain SVHC communication obligations apply
US HAP (Clean Air Act) ⚠ HAP-listed Section 112(b) MACT/NESHAP emission controls; annual emission inventory reporting above major source thresholds
US TSCA ✓ TSCA inventory listed No Section 6 use restriction; standard import/use
NIOSH REL (US) 10 mg/m³ TWA + reproductive hazard notation LEV at dispensing/reaction points; biological monitoring (urinary 2-EHA metabolites)
Germany AGW (GESTIS) 5 mg/m³ TWA Stricter than NIOSH; LEV and annual health surveillance for regular process workers

Storage, Handling & Safety - Repr. 1B Requirements

2-EHA requires careful handling on two grounds: as a combustible liquid with a persistent odour requiring ventilation, and as a Repr. 1B substance requiring reproductive health protection measures beyond standard chemical handling PPE. Full OEL guidance: NIOSH Pocket Guide for 2-EHA and GESTIS (IFA).

📦 Storage Guidelines

• Store at 5–30°C in tightly sealed metal drums or HDPE containers; 180 KG steel drums max 2-layer stacking

• Combustible liquid (flash point ~116°C): keep away from open flames - standard combustible liquid storage area

• Segregate from strong alkalis (form water-soluble soaps rapidly), strong oxidising agents, and reactive metals

• Compatible with stainless steel (316), HDPE, and carbon steel; avoid copper and copper alloys (form copper soaps)

• Shelf life: 12 months; recheck colour on retest - Pt-Co >50 indicates oxidative degradation

🧤 PPE & Repr. 1B Controls

• Chemical-resistant gloves (nitrile ≥0.2 mm) and safety goggles for all handling

• Local exhaust ventilation at dispensing and reaction points - target <5–10 mg/m³ airborne

• Reproductive health risk assessment MANDATORY for all workers handling 2-EHA - document per EU Directive 98/24/EC

• Pregnant workers and workers planning pregnancy must be excluded from 2-EHA exposure areas

• Annual health surveillance for regular process workers; biological monitoring (urinary metabolites) recommended

Frequently Asked Questions (FAQ)

Why is CAS 149-57-5 called both '2-ethylhexanoic acid' and 'isooctanoic acid' - which is correct?

'2-Ethylhexanoic acid' is the IUPAC systematic name - it unambiguously identifies a hexanoic acid with an ethyl substituent at the 2-position. 'Isooctanoic acid' is a trade name used in Chinese and other Asian chemical standards (GB/T) for this specific compound, but it is technically ambiguous - it could in principle refer to any branched C8 carboxylic acid isomer (4-methylheptanoic acid, 2-methylheptanoic acid, etc.). In all international trade documentation, REACH registration, US EPA HAP reporting, TSCA submissions, and safety data sheets, CAS 149-57-5 is identified as '2-ethylhexanoic acid'. Always use the IUPAC name and CAS number in procurement contracts and regulatory filings.

Does 2-EHA's Repr. 1B classification affect products made from it - such as alkyd coatings containing 2-EHA-derived driers?

The Repr. 1B classification applies to pure 2-EHA and to mixtures containing identifiable 2-EHA. When 2-EHA reacts with a metal oxide to form a metal 2-ethylhexanoate salt, the resulting salt is a different substance with its own regulatory assessment - cobalt 2-ethylhexanoate itself carries a separate Repr. 1B + SVHC classification, while zirconium and zinc 2-ethylhexanoates currently do not carry CMR classifications. When metal octoate driers are incorporated into alkyd coatings as minor additives (typically 0.01–0.1% metal on coating), the concentration of any individual Repr. 1B component in the final mixture is generally well below the 0.3% threshold that triggers labelling - though formulators must calculate the actual concentration in their specific formulation to confirm. Sinolook provides mixture classification calculation guidance on request.

What is the acid value of 2-EHA and how should I use it in metal octoate synthesis?

The theoretical AV for 100% pure 2-EHA (MW 144.21 g/mol) is 56,100 / 144.21 = 389 mg KOH/g. Sinolook's specification targets 385–392 mg KOH/g, bracketing the theoretical value with allowance for trace C8 isomers and 2-ethylhexanol. In metal octoate synthesis, the 2-EHA charge is calculated as: moles of 2-EHA per kg = AV / 56.1. Always use the COA acid value for the specific batch - not the nominal 389 - because a 5 mg KOH/g AV variation corresponds to ~1.3% variation in the calculated 2-EHA charge, directly affecting metal content and free acid in the product. Free acid excess causes colour development and product instability; metal oxide excess causes haze and precipitation.

Can 2-EHA be used in food contact applications - such as lubricants for food processing equipment?

2-EHA's Repr. 1B (H360D) classification means intentional incorporation into food contact applications requires careful regulatory review in each jurisdiction. In the EU, Repr. 1B substances face scrutiny under food contact material regulations and may not be permitted for migration into food. In the US, Repr. 1B substances face significant barriers to food contact approval. Buyers considering 2-EHA derivatives in any food contact application must consult the applicable national food safety authority and conduct a substance-specific safety assessment. Sinolook does not supply 2-EHA for direct food contact use and recommends customers evaluate non-Repr. alternatives - such as straight-chain C8 caprylic acid (CAS 124-07-2), which does not carry Repr. 1B classification - for any food contact formulation.

Authoritative Technical & Regulatory References

Reference Source Description Link
ECHA - 2-EHA Substance Information Authoritative EU CLP Repr. 1B (H360D) classification, SVHC candidate status, REACH registration data, and current restriction/authorisation status for CAS 149-57-5. View →
PubChem - CID 8724 NCBI PubChem record for 2-EHA: IUPAC name, molecular structure, full physicochemical data, GHS hazard classification (Repr. 1B), and regulatory information. View →
EPA CompTox - 2-Ethylhexanoic Acid US EPA CompTox for CAS 149-57-5: HAP listing confirmation, TSCA inventory status, and available environmental fate and physicochemical data. View →
NIOSH Pocket Guide - 2-EHA NIOSH REL (10 mg/m³ TWA), IDLH value, reproductive hazard notation, and engineering control guidance for 2-ethylhexanoic acid. View →
GESTIS - 2-EHA Occupational Safety IFA GESTIS database for CAS 149-57-5: European occupational exposure limits (Germany AGW: 5 mg/m³), physicochemical data, toxicological summary, and Repr. 1B classification context. View →
ECHA - Cobalt 2-ethylhexanoate (derivative reference) ECHA substance information for cobalt 2-ethylhexanoate (CAS 136-52-7) - the most important 2-EHA derivative - which also carries Repr. 1B + SVHC designation, illustrating the regulatory cascade from 2-EHA through its metal salt derivatives. View →

Note: Links are provided for reference. 2-EHA's REACH SVHC and restriction status may change - always verify current designation via the ECHA website before EU procurement. Sinolook provides updated regulatory documentation with every shipment and notifies customers proactively of material regulatory changes.

Buy 2-Ethylhexanoic Acid (Isooctanoic Acid) from China - B2B Procurement Guide

As a direct 2-EHA / isooctanoic acid manufacturer in China with Oxo-process integrated production, Sinolook provides volume-tiered competitive 2-EHA / isooctanoic acid price with consistent supply for drier, catalyst, stabiliser, and alkyd resin producers. Full DG documentation: Combustible Liquid (Class III-B, PG III). Regular sailings from Shanghai, Tianjin, Qingdao, Guangzhou, Ningbo.

MOQ

1 MT · Volume tiers: 1 MT → 5 MT → 20 MT → 100 MT → ISO tank / flexi-tank bulk

Samples

0.5–5 KG qualification samples at nominal charge, credited against first commercial order

Lead Time

7–14 business days standard; expedited available

Packaging

180 KG steel drums / IBC tanks (1,000 KG)

Contact Sinolook - Your Trusted 2-Ethylhexanoic Acid / Isooctanoic Acid Supplier

Whether you are a coating drier manufacturer synthesising cobalt, zirconium, manganese, calcium, or zinc 2-ethylhexanoate octoates for air-drying alkyd systems; a polyurethane catalyst producer synthesising tin, bismuth, or zinc octoate catalysts for foam and CASE applications; an alkyd resin manufacturer incorporating 2-EHA directly into polyester backbone synthesis; a PVC stabiliser formulator building calcium-zinc 2-ethylhexanoate systems for RoHS-compliant PVC; a synthetic lubricant producer manufacturing 2-EH ester base fluids; or a specialty organometallic catalyst producer requiring rare earth or transition metal octoates - Sinolook Chemical delivers purity ≥99.0%, COA-verified acid value for precise metal salt stoichiometry, and a comprehensive Repr. 1B regulatory documentation package. Our team responds within 24 hours.

📱 Phone / WeChat

0086 134-0071-5622

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0086 181-5036-2095

🌐 Website

www.sinolookchem.com

Sinolook Chemical Co., Ltd. - Global Supplier of Organic Acids, Metal Octoate Precursors & Specialty Industrial Chemicals

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