DI-N-OCTYL ADIPATE

Di-n-octyl adipate, also called dioctyl hexanedioate, is the straight-chain octyl diester of adipic acid, with CAS 123-79-5 and formula C22H42O4, used as a plasticizer and supplied in specialized laboratory and fragrance-related grades. The adipate structure is selected for flexibility and compatibility in suitable polymer formulations, while specialized grades have separate identity, assay and application requirements. Its ester groups interact with compatible formulation components and its hydrocarbon chains help modify polymer-chain mobility without chemically joining the polymer backbone.

CAS No: 123-79-5
EC No: 204-652-9
Molecular formula: C22H42O4
Molecular weight: approximately 370.57 g/mol
Appearance: clear, colorless oily liquid in representative specifications
Odor: slight fatty odor in the evaluated flavoring specification
Chemical class: saturated aliphatic adipate diester
Water solubility: practically insoluble
Solubility in ethanol: soluble
Specific gravity at 20°C: approximately 0.924-0.930 in the referenced flavoring specification

WHAT IS DI-N-OCTYL ADIPATE?

Di-n-octyl adipate is a defined adipic acid ester containing two linear n-octyl groups and used as a plasticizer and specialty formulation ingredient. Dioctyl hexanedioate, CAS 123-79-5, must be distinguished from the branched bis(2-ethylhexyl) adipate, CAS 103-23-1, which is also widely marketed as dioctyl adipate or DOA.

The linear ester can be obtained by esterification of adipic acid with n-octanol, followed by finishing to control residual acid, alcohol, water and color. Reaction of adipic acid with 2-ethylhexanol instead produces the branched ester. The alcohol identity is therefore essential to product identification.

Both isomers have the formula C22H42O4 and essentially the same molecular weight, so these two fields alone cannot establish which material is supplied. Confirm the CAS number together with a structural or analytical identity check. A document that combines the linear CAS number with a branched structural name should be resolved before purchase.

Technical plasticizer material, analytical standards, solvent-based reference solutions and fragrance-related grades serve different purposes. Their concentrations, impurities and permitted uses cannot be inferred from the common name. A laboratory standard dissolved in toluene is not a neat plasticizer grade.

COMMON PRODUCT & CHEMICAL NAMES OF DI-N-OCTYL ADIPATE:

Di-n-octyl adipate
Dioctyl hexanedioate
Adipic acid, bis-n-octyl ester
Adipic acid, dioctyl ester
Hexanedioic acid, dioctyl ester
Hexanedioic acid, 1,6-dioctyl ester
Dioctyl adipate, when explicitly identified as CAS 123-79-5

DOA is an ambiguous trade abbreviation and should not be used without the CAS number in a purchasing specification. DEHA and di(2-ethylhexyl) adipate describe the branched ester, not verified synonyms for the linear structure discussed here. Phthalate plasticizers are another chemical class and do not become adipates through a similar trade name.

CAS NO, EC / EINECS NO AND CHEMICAL IDENTIFICATION OF DI-N-OCTYL ADIPATE

Product name: Di-n-octyl adipate
Chemical name: dioctyl hexanedioate
CAS No: 123-79-5
EC / EINECS No: 204-652-9
Molecular formula: C22H42O4
Molecular weight: approximately 370.57 g/mol
Chemical class: linear C8 alcohol-derived adipate diester
Documented specialist identifiers: FEMA 4476, JECFA 1968
Main functions: polymer plasticizer and specialty ingredient in appropriately qualified grades

FEMA and JECFA numbers identify flavoring records, not universal permissions for every industrial batch. They are not E numbers. No cosmetic INCI designation is assigned here merely from an unverified synonym or a similarly named cosmetic ester.

CHEMICAL STRUCTURE AND MOLECULAR PROPERTIES OF DI-N-OCTYL ADIPATE

The structure can be written as CH3(CH2)7-O-C(=O)-(CH2)4-C(=O)-O-(CH2)7CH3. Two ester groups connect the adipic acid segment to two unbranched eight-carbon chains. The molecule contains no phthalate aromatic ring and is not a polymer or an ionic surfactant.

Ester oxygen atoms provide polarity, while the hydrocarbon segments contribute oil affinity. This combination explains the very limited water solubility and compatibility with selected organic systems. Linear and branched octyl substituents can give different packing and physical behavior, despite identical elemental formulas.

HOW DOES DI-N-OCTYL ADIPATE WORK AT THE MOLECULAR LEVEL?

In a compatible polymer matrix, the ester acts as an external plasticizer. Its incorporation modifies interactions between polymer chains and can increase segmental mobility, supporting flexibility and processing. The effect depends on polymer chemistry, concentration and the other ingredients.

Because the plasticizer is not covalently fixed to the polymer backbone, migration, extraction and loss during aging must be evaluated. Water insolubility of the neat liquid does not establish resistance to extraction by oils, solvents or food simulants. Likewise, a high boiling range does not prove negligible loss under all processing conditions.

Relevant functions include:

Increasing flexibility in compatible polymers
Adjusting the balance of stiffness and processing behavior
Acting as part of a mixed-plasticizer system
Providing a defined ester ingredient for qualified specialty applications

No universal gelation rate, weathering lifetime or electrical insulation performance follows from the molecular identity alone. The completed compound must demonstrate the required properties.

PHYSICAL AND CHEMICAL PROPERTIES OF DI-N-OCTYL ADIPATE

A documented flavoring specification for CAS 123-79-5 describes the following properties:

Physical form: clear, colorless liquid
Odor: slight fatty aroma
Assay: minimum 98% in that specification
Acid value: maximum 1 mg KOH/g in that specification
Refractive index: approximately 1.444-1.450
Specific gravity: approximately 0.924-0.930 at 20°C
Water behavior: practically insoluble or insoluble
Ethanol behavior: soluble

These values describe a particular specification framework, not guaranteed limits for every product from Ataman Kimya. A separate supplier offers a grade with assay ≥97%, illustrating why one commercial assay should not be copied as a universal purity.

Residual acidity, moisture, unreacted octanol and color are useful purchasing parameters, but numerical acceptance limits must correspond to the offered grade. The acid value describes titratable residual acidity and is not the pH of a water-insoluble ester.

Published melting, boiling, flash-point and viscosity values are inconsistent across documents carrying the common DOA name. Some records mix the two structural isomers, omit the pressure for boiling data or use different test methods. No single such value is assigned here without a clear basis for the exact supplied product.

For an application requiring cold storage or low-temperature start-up, test the actual material and finished compound. The low-temperature behavior of branched DEHA must not be transferred automatically to the linear n-octyl ester.

USE OF DI-N-OCTYL ADIPATE IN PVC DEVELOPMENT

Linear dioctyl adipate is described as a plasticizer for PVC and other compatible resins. It can be evaluated alone or in a mixed-plasticizer package when flexibility and processability need adjustment. Broad market statements about DOA are insufficient to establish the performance of CAS 123-79-5.

Specify the PVC resin, total plasticizer loading, stabilization system and processing route before comparing trials. Dry blending, calendering and plastisol processing have different requirements. A favorable result in one system does not establish storage viscosity or gelation behavior in another.

SECTORS AND INDUSTRIAL APPLICATIONS OF DI-N-OCTYL ADIPATE

Main areas for appropriately specified grades:

Plasticized PVC and compatible resin compounds
Flexible coatings and polymer-development studies
Selected rubber and cellulose-resin formulations
Analytical reference materials
Qualified flavoring and fragrance-related applications

DI-N-OCTYL ADIPATE IN POLYMER COMPOUNDS

Purpose: adjust flexibility and processing behavior.
Function: external plasticizer, either alone or with another compatible plasticizer.
Evaluation: hardness, tensile properties, low-temperature response and aging.
Limitation: migration and extraction must be tested in the intended compound.

DI-N-OCTYL ADIPATE IN REFERENCE MATERIALS

Purpose: provide a defined substance for laboratory analysis and method development.
Function: neat reference chemical or a component of a certified or specified standard solution.
Evaluation: identity, assay, uncertainty where supplied, concentration and solvent.
Limitation: analytical or research supply does not establish suitability for commercial formulation or consumption.

DI-N-OCTYL ADIPATE IN FLAVORING AND FRAGRANCE-RELATED APPLICATIONS

The linear CAS identity has flavoring records under FEMA 4476 and JECFA 1968, and specialist suppliers offer fragrance-related grades. The JECFA record describes a fatty aroma, while specialist organoleptic descriptions can include mild dairy or coconut notes. These descriptions are grade-specific sensory information, not guaranteed odor specifications for industrial material.

JECFA's 2010 evaluation considered intake at the flavoring-use levels then evaluated. It does not establish an unrestricted use concentration, current permission in every country or a safety conclusion for every exposure route. Obtain current application documentation for the exact grade before a food, fragrance or skin-contact use.

Food-contact packaging and direct flavoring are different applications. Neither status should be inferred from generic DOA literature or from data for the branched isomer. Medical-device suitability and a cosmetic function also require their own supporting evidence.

WHICH PROBLEMS CAN DI-N-OCTYL ADIPATE HELP SOLVE?

Excessive polymer rigidity: compatible plasticization can increase flexibility, with mechanical strength and aging checked together.

An unsuitable plasticizer balance: the linear ester can be screened as part of a mixed package, comparing performance rather than relying on trade-name similarity.

Unclear raw-material identity: specifying the linear structure and CAS number prevents substitution based solely on the name dioctyl adipate.

Inconsistent laboratory comparisons: controlling assay, reference-solution solvent and test conditions helps distinguish material differences from method differences.

THINGS TO CONSIDER WHEN USING DI-N-OCTYL ADIPATE

The most important error to avoid is treating CAS 123-79-5 and CAS 103-23-1 as interchangeable.

Verify the linear octyl structure as well as the CAS number.
Keep technical, analytical and specialist sensory grades distinct.
Compare physical values only with their temperature, pressure and method.
Measure compatibility, exudation and extraction in the actual polymer.
Assess low-temperature properties rather than copying branched-ester data.
Distinguish weight percentage of the complete compound from phr on PVC.
Confirm destination-specific documentation for regulated uses.

Provide ventilation during mixing and heated processing, and avoid skin and eye contact. Changing plasticizer identity can alter processing and exposure conditions even when the molecular formula remains unchanged.

INITIAL FORMULATION APPROACHES FOR DI-N-OCTYL ADIPATE

These are proposed starting compositions for comparative PVC trials, not published or validated commercial formulations. All values are weight percentages of the complete initial compound, with ingredients used as supplied. They illustrate a screening design and do not establish an optimum dosage, approved end use or predicted property.

EXAMPLE 1: DI-N-OCTYL ADIPATE AS THE SOLE PLASTICIZER IN A PVC TRIAL

Components:

PVC resin suitable for the selected compounding route: 67.50%
Di-n-octyl adipate, verified CAS 123-79-5: 30.00%
Commercial calcium/zinc PVC stabilizer package: 2.00%
Compatible PVC processing lubricant: 0.50%
Total: 100.00%

The plasticizer level corresponds to approximately 44.44 phr, calculated as 30 / 67.5 × 100. The stabilizer and lubricant amounts are provisional screening choices that need adjustment for the selected products and processing route.

Evaluation criteria:

Mixing and incorporation behavior
Hardness, tensile strength and elongation
Low-temperature flexibility of the finished compound
Surface exudation and migration
Heat aging and extraction resistance

Do not assign food-contact, toy, cable or medical approval to this trial. Processing conditions require separate development with a suitable stabilization system.

EXAMPLE 2: DI-N-OCTYL ADIPATE IN A MIXED-PLASTICIZER PVC TRIAL

Components:

The same PVC resin as in Example 1: 67.50%
Di-n-octyl adipate, verified CAS 123-79-5: 10.00%
Bis(2-ethylhexyl) terephthalate, DOTP: 20.00%
The same calcium/zinc stabilizer package: 2.00%
The same compatible processing lubricant: 0.50%
Total: 100.00%

The total plasticizer loading remains approximately 44.44 phr, including about 14.81 phr linear adipate and 29.63 phr DOTP. Keeping the same resin and additive products allows a more useful comparison of plasticizer-package effects.

Evaluation criteria:

Compatibility and compound homogeneity
Hardness and mechanical properties at matched processing conditions
Cold-flexibility response
Migration, extraction and mass loss during aging
Comparison with both Example 1 and a DOTP-only control

The results cannot be predicted by averaging component properties. Any changes to stabilizer, lubricant or other ingredients require rebalancing the total to 100% and repeating relevant evaluation.

DI-N-OCTYL ADIPATE SIMILAR PRODUCTS AND ALTERNATIVES

An alternative should be selected against the polymer, processing route and final-use requirements. Equal formula, similar trade name or equal mass does not establish equivalent performance.

DI-N-OCTYL ADIPATE AND BIS(2-ETHYLHEXYL) ADIPATE

CAS 123-79-5 has straight octyl chains, while CAS 103-23-1 has branched 2-ethylhexyl groups. Both are adipate esters with formula C22H42O4, but they are structural isomers with different identities.

DI-N-OCTYL ADIPATE AND DOTP

DOTP is a terephthalate ester, with a different acid-derived structure. It can be used as a comparison or co-plasticizer in suitable PVC studies, but its compatibility and final performance must be measured.

DI-N-OCTYL ADIPATE AND DIISODECYL OR DIISOTRIDECYL ADIPATE

These adipates use longer, branched alcohol fractions. They provide other ester options, with different viscosity and polymer behavior that require reformulation rather than automatic substitution.

QUALITY CONTROL AND PURCHASING CRITERIA FOR DI-N-OCTYL ADIPATE

Start with an identity requirement that includes CAS 123-79-5 and the linear octyl structure. Resolve conflicting names or structures before comparing price or accepting a delivery.

Information to review:

Identity test and CAS/EC agreement
Neat material or solution, including solvent and concentration
Assay and analytical method
Residual acid, water and alcohol limits
Color, odor and application-specific impurities
Physical-property methods and measurement conditions
Batch COA, relevant TDS and current SDS
Supplier restrictions on research or commercial use
Documentation for any food, fragrance or cosmetic application
Packaging, traceability and delivery conditions

The COA reports batch quality, the TDS provides technical characteristics and the SDS communicates safety and handling. A research catalog entry or a flavoring identifier cannot replace application documentation. For missing information on the offered grade, please contact Ataman Kimya.

Price depends on grade, purity, analytical certification, packaging and quantity. A small-volume analytical standard and a bulk industrial plasticizer should not be compared as though they were the same supply form.

STORAGE AND HANDLING OF DI-N-OCTYL ADIPATE

Keep containers tightly closed and protect the material from contamination, excessive heat and strong oxidizing agents. Use clean transfer equipment and suitable containment for the oily liquid. Obtain the offered grade's storage temperature and shelf life from Ataman Kimya rather than applying laboratory storage instructions to every industrial shipment.

Contain spills, collect with a suitable absorbent and prevent entry into drains and waterways. Dispose of residues and contaminated packaging through an appropriate waste route. The liquid can make floors slippery.

A reviewed supplier SDS describes its product as not regulated as dangerous goods under US road, maritime and air transport provisions. This is a product-specific transport statement, not a reason to assign UN 3082 or another number from a different ester. Confirm the current transport status for the actual supply.

SAFETY INFORMATION OF DI-N-OCTYL ADIPATE

A reviewed 2026 supplier SDS classifies its grade as Skin Irritation Category 2 and Eye Irritation Category 2A under the US OSHA framework, with H315 and H319. Other supplier documents report different classification outcomes, so the current grade-specific label and applicable jurisdiction must be confirmed. A blanket claim that the material is nontoxic or needs no special handling is inappropriate.

Wear suitable chemical-resistant gloves and eye protection, and control mist or vapor exposure during handling. For skin contact remove contaminated clothing and wash thoroughly, and for eye contact rinse carefully with water and seek medical attention. Significant exposure or persistent symptoms require medical advice.

The organic ester is combustible and may form hazardous carbon oxides in a fire. Avoid strong oxidizers and uncontrolled heating. Prevent environmental releases, and do not infer ready biodegradability or environmental harmlessness merely from the absence of a phthalate structure.

SUPPLY OF DI-N-OCTYL ADIPATE FROM ATAMAN KIMYA

ATAMAN KİMYA can be contacted for Di-n-octyl adipate supply inquiries with the linear identity explicitly stated. Confirm availability, grade, packaging and supporting documents for CAS 123-79-5 before final selection.

Useful details for a quotation request include:

Intended application and required grade
Confirmation that the linear n-octyl ester is required
Assay and impurity limits
Required technical and regulatory documents
Trial quantity, commercial quantity and packaging
Delivery destination and timing

FREQUENTLY ASKED QUESTIONS ABOUT DI-N-OCTYL ADIPATE

What is Di-n-octyl adipate?
It is the adipic acid diester containing two straight-chain n-octyl groups.

What is its CAS number?
The CAS number is 123-79-5.

What is its EC number?
The EC / EINECS number is 204-652-9.

What are its formula and molecular weight?
The formula is C22H42O4 and the molecular weight is approximately 370.57 g/mol.

Is it the same as DEHA?
No, DEHA normally refers to branched bis(2-ethylhexyl) adipate, CAS 103-23-1.

Why is the DOA abbreviation insufficient?
It is used commercially for different octyl adipate identities, so a CAS and structure check is necessary.

Which alcohol forms the linear ester?
The corresponding alcohol is n-octanol, rather than 2-ethylhexanol.

Is it soluble in water?
It is practically insoluble in water, while the evaluated specification reports solubility in ethanol.

Is it a phthalate?
No, it is an adipate diester and has no phthalate aromatic ring.

How does it plasticize a polymer?
In a compatible system it modifies chain interactions and increases segmental mobility without covalent attachment to the backbone.

Can its low-temperature behavior be taken from DEHA data?
No, the exact linear ester and finished formulation should be tested separately.

Can it be mixed with another plasticizer?
Such blends can be evaluated, but compatibility, aging and extraction require testing.

What do FEMA 4476 and JECFA 1968 mean?
They identify flavoring records for CAS 123-79-5 and do not authorize every industrial grade or use.

Is every grade suitable for food-contact packaging?
No, application-specific documentation and finished-article requirements must be satisfied.

Can an industrial batch automatically be used in cosmetics?
No, the exact ingredient identity, grade and applicable cosmetic requirements must first be established.

Is it universally nonhazardous?
No, supplier classifications differ and a reviewed grade carries skin and eye irritation hazards.

Does it have a universal use level?
No, the level depends on the polymer, plasticizer package, processing and final-use requirements.

Which documents should be requested?
Request the batch COA, relevant specification and current SDS, plus identity and application documentation.

DI-N-OCTYL ADIPATE - TECHNICAL SUMMARY

Di-n-octyl adipate is the linear octyl diester of adipic acid, identified by CAS 123-79-5 and EC 204-652-9. Its formula is C22H42O4 and its molecular weight is approximately 370.57 g/mol.

The substance must be separated from branched bis(2-ethylhexyl) adipate, which is also marketed as DOA. Identical formula and molecular weight do not establish identical molecular structure or performance.

Plasticizer, analytical and specialist fragrance-related grades have different specifications and documentation needs. Assay, residual acidity, water, alcohol, color and physical-test conditions are relevant purchasing considerations.

In compatible polymers, the ester acts as an external plasticizer. Development requires evaluation of flexibility, processing, migration, extraction and aging, rather than copying performance claims for another octyl adipate.

Flavoring records do not establish unrestricted application approval, and safety and transport classifications remain product-specific. Appropriate handling controls and confirmation of the exact supply identity are essential.

Di-n-octyl adipate can be sourced from ATAMAN KİMYA. For further information and supply inquiries about Di-n-octyl adipate, please contact ATAMAN KİMYA.