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SEBACIC ACID, DIMETHYL ESTER

Sebacic Acid, Dimethyl Ester is a versatile long-chain diester used in polymer and specialty chemical production.
Sebacic Acid, Dimethyl Ester provides flexibility, lubricity and compatibility in selected formulations.
Plasticizers, lubricants, coatings and personal-care products can use Sebacic Acid, Dimethyl Ester.

CAS Number: 106-79-6
EC Number: 203-431-4
Molecular Formula: C₁₂H₂₂O₄
Molecular Weight: 230.30 g/mol
MDL Number: MFCD00008472

Synonyms: DMS, Dimethyl sebacate, Dimethyl decanedioate, Sebacic acid dimethyl ester, Decanedioic acid dimethyl ester, Dimethyl decane-1,10-dioate, Decanedioic acid 1,10-dimethyl ester, 1,8-Octanedicarboxylic acid bis-methyl ester, Dimethyl octane-1,8-dicarboxylate, Methyl sebacate, NSC 9415, MFCD00008472, UNII G87745M355, DTXSID1026740, CHEBI:194205, CHEMBL3186083, AI3-00662, EINECS 203-431-4, CAS 106-79-6

Sebacic Acid, Dimethyl Ester has the molecular formula C₁₂H₂₂O₄ and a molar mass of approximately 230.30 g/mol.
The structure of Sebacic Acid, Dimethyl Ester contains two methyl ester groups connected by a long aliphatic chain.

Also known as Dimethyl Sebacate, Sebacic Acid, Dimethyl Ester belongs to the aliphatic diester family.
The two ester groups give Sebacic Acid, Dimethyl Ester useful reactivity in organic and polymer synthesis.

Sebacic Acid, Dimethyl Ester may appear as a colorless liquid or a white crystalline solid depending on temperature.
The physical form of Sebacic Acid, Dimethyl Ester can change near ordinary room temperature.

Water dissolves only a very small amount of Sebacic Acid, Dimethyl Ester.
Alcohols, ethers and many organic solvents dissolve Sebacic Acid, Dimethyl Ester more readily.

Manufacturers produce Sebacic Acid, Dimethyl Ester by esterifying sebacic acid with methanol.
Acid catalysts accelerate the reaction used to manufacture Sebacic Acid, Dimethyl Ester.

Removing water from the esterification system promotes the formation of Sebacic Acid, Dimethyl Ester.
Distillation and crystallization provide Sebacic Acid, Dimethyl Ester with controlled purity and color.

Polymer manufacturers use Sebacic Acid, Dimethyl Ester as a bifunctional intermediate.
The long hydrocarbon chain of Sebacic Acid, Dimethyl Ester can introduce flexibility into polymer structures.

Polyester synthesis can use Sebacic Acid, Dimethyl Ester as a linear building block.
Transesterification allows Sebacic Acid, Dimethyl Ester to react with suitable diols and polyols.

Plasticizer formulations may employ Sebacic Acid, Dimethyl Ester to improve polymer flexibility.
Sebacic Acid, Dimethyl Ester can support low-temperature performance in selected materials.

Lubricant formulations can use Sebacic Acid, Dimethyl Ester as a functional intermediate.
The ester structure of Sebacic Acid, Dimethyl Ester promotes lubrication and film formation.

Coatings and resin systems may contain Sebacic Acid, Dimethyl Ester to modify flexibility and flow.
Sebacic Acid, Dimethyl Ester can improve compatibility between selected resins and additives.

Personal-care formulations may use suitable grades of Sebacic Acid, Dimethyl Ester as emollients.
Sebacic Acid, Dimethyl Ester can provide a smooth and lightweight feel in oil-based products.

Fragrance formulations can employ Sebacic Acid, Dimethyl Ester as a carrier or fixative.
The low volatility of Sebacic Acid, Dimethyl Ester can support the gradual release of fragrance ingredients.

Controlled hydrolysis converts Sebacic Acid, Dimethyl Ester into sebacic acid and methanol.
Sebacic Acid, Dimethyl Ester can also undergo transesterification and reduction reactions.

Purity, ester value, acidity, water content and color represent important parameters for Sebacic Acid, Dimethyl Ester.
Chromatographic and spectroscopic methods can confirm the identity of Sebacic Acid, Dimethyl Ester.

Commercially available as a colourless clear liquid at room temperature, sebacic acid, dimethyl ester is the methyl diester of the naturally occurring C₁₀ dicarboxylic acid sebacic acid — the same diacid produced in the human skin from fatty acids and present in skin sebum — making it one of the few industrial plasticisers and solvents with an intrinsic biocompatibility argument grounded in endogenous biochemistry.
Its long straight-chain C₁₂ symmetric diester architecture — two terminal methyl ester groups flanking a linear C₁₀ aliphatic spacer — provides the high chain conformational flexibility (11 rotatable bonds) that is responsible for its plasticising action, the low glass transition temperature it imparts to polymer matrices, its excellent compatibility with oils and non-polar polymers, and its utility as a reactive transesterification platform for the one-step synthesis of higher dialkyl sebacates.

Uses of Sebacic Acid, Dimethyl Ester:
Sebacic acid, dimethyl ester is used as an internal and external plasticiser for synthetic polymers — particularly PVC, polyurethanes, cellulose acetate, cellulose nitrate, PLA, and various rubbers — where it increases flexibility, plasticity, fluidity, workability, impact toughness, and low-temperature performance of the final product by internal modification (dissolution) of the polymer molecule, or by external surface treatment to impart flexibility without chemical reaction with the polymer backbone; its long C₁₀ aliphatic chain confers low volatility and good permanence in the polymer matrix compared with shorter-chain diester plasticisers.
Sebacic acid, dimethyl ester is used as the transesterification starting material for the one-step synthesis of bis(2-ethylhexyl) sebacate (DOS) — a premium long-chain aliphatic diester plasticiser and synthetic ester base oil used in petroleum-based and synthetic lubricants, specialty greases, aerospace hydraulic fluids, and low-temperature flexible PVC compounds requiring performance down to −60°C; DMS + 2 equivalents of 2-ethylhexanol → DOS + 2 methanol under acid or base catalysis, avoiding the need to isolate the free sebacic acid.
Sebacic acid, dimethyl ester is used as a chemical intermediate in the synthesis of sebacic dihydrazide (a versatile polyurethane crosslinker and chain extender that serves as an isocyanate precursor), polytetramethylene sebacate (an engineering polyester elastomer used in flexible fibres, films, and coatings), UV stabilisers based on the hindered amine light stabiliser (HALS) sebacate backbone, and specialty long-chain esters for lubricant and polymer applications.
Sebacic acid, dimethyl ester is used as a specialised high-boiling (~294°C) industrial solvent in formulations requiring a biodegradable, low-toxicity, high-solvency, non-volatile organic carrier — including floor coatings, maintenance coatings, industrial cleaning concentrates, lubricant formulations, and specialty resin solutions; its long aliphatic chain provides excellent compatibility with oils, waxes, and non-polar polymers, and its high boiling point ensures negligible volatility under processing conditions.
Sebacic acid, dimethyl ester is used as a textile softener and conditioner — classified in the softener/conditioner and emollient category — improving the hand, softness, pliability, and mechanical processing of natural and synthetic fabrics; in personal care and cosmetic formulations it is used as an emollient, skin-conditioning agent, and carrier solvent for active ingredients, providing a smooth and lightweight feel in oil-based systems.
Sebacic acid, dimethyl ester is used as a fragrance and flavour ingredient with a fruity, estery, fatty character in fine fragrances, cosmetics, soaps, and detergents as a modifier, carrier, and fixative; in food flavour formulations it contributes a fruity, waxy note; it is also used as a co-additive in antirust lubricating oils where the sebacate ester backbone forms an adsorbed protective film on metal surfaces, and as a component in hydraulic fluids, candle manufacture, and emulsifier systems.

Benefits and Advantages of Sebacic Acid, Dimethyl Ester:
Sebacic acid, dimethyl ester is derived from sebacic acid, which is produced commercially from castor oil — a renewable, non-food-competing bio-based feedstock grown in arid and semi-arid regions — providing a naturally sourced, bio-based supply chain with a significantly reduced carbon footprint compared with fully petrochemical alternatives; this origin aligns with EU Green Deal, circular economy, and bio-content requirements, and is increasingly valued in sustainable formulation programmes.
The compound presents exceptionally low acute toxicity (GHS Not Classified, no signal word), is not classified as an endocrine disruptor, SVHC, or CMR substance, and is compliant with REACH and applicable FDA food-contact regulations — making it a preferred safer alternative to phthalate plasticisers (DEHP, DBP, BBP) and other regulated compounds in sensitive applications including toys, food packaging, medical devices, and personal care products; sebacic acid itself is naturally present in human skin sebum, contributing intrinsic biocompatibility to its ester derivatives.
The long C₁₀ aliphatic backbone of sebacic acid, dimethyl ester provides superior low-temperature flexibility (plastified PVC films remain flexible well below 0°C), low volatility, good permanence in polymer matrices (low migration and extraction), and excellent compatibility with oils, waxes, and non-polar polymers — a set of properties difficult to achieve simultaneously with shorter-chain (C₄–C₆) diester plasticisers; the 11 rotatable bonds of the C₁₂ diester chain provide high conformational freedom responsible for efficient Tg depression.
Sebacic acid, dimethyl ester is a high-value precursor to DOS and other long-chain sebacate esters via one-step transesterification, allowing the target ester to be produced in a single operation without isolating the acid form — a process advantage over direct esterification from sebacic acid; its reactivity toward hydrolysis, reduction, aminolysis, and acyloin condensation makes it a broadly useful synthetic platform for academic and industrial organic chemistry.

Features of Sebacic Acid, Dimethyl Ester:
Sebacic acid, dimethyl ester is a clear, colourless to very pale yellow, low-viscosity liquid at room temperature with a faint pleasant fruity-estery odour; boiling point ~294°C at 760 mmHg (215–220°C at 14 mmHg; 156–160°C at 3 mmHg); density ~0.988 g/cm³ at 20°C; refractive index n20/D ~1.435; flash point ~163°C (estimated); vapour pressure negligible at ambient temperature; sparingly soluble in water; miscible with ethanol, acetone, chloroform, diethyl ether, benzene, toluene, and most oils; XLogP3 ~2; TPSA 52.6 Å²; rotatable bonds 11; HBA 4; HBD 0.
Key structural features: straight-chain, linear symmetric C₁₂ diester; C₁₀ dicarboxylate backbone (sebacic acid unit); two terminal methyl ester groups (−COOCH₃); the long aliphatic spacer provides low Tg, high chain mobility, good solvency for non-polar matrices, and serves as a versatile platform for transesterification to higher dialkyl sebacates (DOS, DBS, etc.); no hydrogen bond donors; 4 hydrogen bond acceptors.

Chemical Properties of Sebacic Acid, Dimethyl Ester:
Sebacic acid, dimethyl ester has IUPAC name dimethyl decane-1,10-dioate, linear formula CH₃OOC(CH₂)₈COOCH₃, SMILES COC(=O)CCCCCCCCC(=O)OC, InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3, InChIKey WNLRTRBMVRJNCN-UHFFFAOYSA-N; PubChem CID 68143; CHEBI:194205; MFCD00008472; UNII G87745M355; DTXSID1026740; CHEMBL3186083; NSC 9415; EC 203-431-4.
Key chemical reactions: (1) transesterification with higher alcohols (2-ethylhexanol, n-butanol) under acid or base catalysis → higher dialkyl sebacates (DOS, DBS) + methanol; (2) saponification with NaOH or KOH → disodium/dipotassium sebacate + methanol; (3) aminolysis with hydrazine → sebacic dihydrazide (polyurethane crosslinker); (4) acyloin condensation under base → cyclodecane-1,2-diol precursor; (5) reduction with LiAlH₄ or NaBH₄ → 1,10-decanediol + methanol; (6) acid hydrolysis → sebacic acid + methanol.
Sebacic acid, dimethyl ester is stable under normal ambient conditions; incompatible with strong bases (saponification), strong acids at elevated temperature, and strong oxidising agents; GHS Not Classified; REACH registered; compliant with applicable FDA food-contact regulations.

Production of Sebacic Acid, Dimethyl Ester:
Sebacic acid, dimethyl ester is produced commercially by direct esterification of sebacic acid with methanol (molar ratio ~1:5) in the presence of a strong acid catalyst (concentrated H₂SO₄, p-TsOH, or solid acid catalyst such as ion-exchange resin or zeolite) at 65–90°C with continuous azeotropic or molecular-sieve water removal; the product is purified by neutralisation, washing, drying, and vacuum distillation to ≥95–99% purity; sebacic acid feedstock is produced from castor oil by industrial NaOH/KOH alkaline pressure-cracking of ricinoleic acid, with octanol and glycerol as co-products, primarily in India and China.
Commercial sebacic acid, dimethyl ester is available at ≥95% (technical), ≥98% (pure), ≥99% (high purity), and analytical standard grades as a colourless clear liquid; specification: assay ≥98%; refractive index n20/D 1.434–1.436; density 0.984–0.990 g/cm³; acid value ≤1.0 mgKOH/g; colour (APHA) ≤10; water content ≤0.1%; packaging: 200 kg steel drum; IBC; bulk tank.

Sebacic Acid, Dimethyl Ester Material Safety Data Sheet (MSDS):

Handling of Sebacic Acid, Dimethyl Ester:
Sebacic acid, dimethyl ester is not classified as hazardous under GHS; standard chemical handling precautions apply: avoid prolonged or repeated skin and eye contact; use in well-ventilated areas; avoid generating aerosols or mists at elevated temperatures; wear gloves and safety glasses for routine handling; wash hands after handling; do not eat, drink, or smoke in work areas.
Vapour pressure is negligible at ambient temperature, minimising inhalation risk during normal handling; flash point ~163°C makes it non-flammable under ambient conditions; standard industrial and laboratory hygiene practices are sufficient.

Sebacic Acid, Dimethyl Ester SDS:

Stability and Reactivity of Sebacic Acid, Dimethyl Ester:

Chemical stability:
Sebacic acid, dimethyl ester is chemically stable under normal ambient storage and handling conditions.
Slow hydrolysis may occur in the presence of water and strong acids or bases; susceptible to saponification by strong alkali.

Reactivity:
Sebacic acid, dimethyl ester undergoes transesterification with alcohols in the presence of acid or base catalysts.
Incompatible with strong bases (saponification), strong oxidising agents, and strong acids at elevated temperature.

Conditions to avoid:
Strong bases (saponification — formation of disodium sebacate + methanol).
Strong acids at elevated temperature.
Strong oxidising agents.
No fire hazard under ambient conditions (flash point ~163°C).

Incompatible materials:
Strong alkali (NaOH, KOH) — saponification.
Strong mineral acids at elevated temperature.
Strong oxidising agents (peroxides, permanganates).
Reactive metals at elevated temperature.

Hazardous decomposition products:
Carbon monoxide (CO) and carbon dioxide (CO₂) upon combustion.
Methanol vapour upon thermal decomposition or hydrolysis.

Handling and Storage of Sebacic Acid, Dimethyl Ester:

Handling:
Use in well-ventilated areas; no special ignition precautions required at ambient temperature.
Wear gloves and safety glasses for routine handling; avoid prolonged skin contact.
Standard laboratory and industrial hygiene practices are sufficient.
Wash hands after handling; do not eat, drink, or smoke in work areas.

Storage:
Store in tightly closed containers in a cool (below 30°C), dry, well-ventilated area.
Keep away from strong alkalis and oxidising agents.
No fire hazard classification for ambient storage; no special transport requirements.
Packaging: 200 kg steel drum; IBC; bulk tank.

First Aid Measures for Sebacic Acid, Dimethyl Ester:

Inhalation: Move to fresh air; if symptoms persist, consult a physician; vapour exposure is negligible under normal ambient conditions.
Skin contact: Wash with soap and water; remove contaminated clothing; prolonged or repeated contact may cause mild irritation; consult a physician if irritation persists.
Eye contact: Rinse with plenty of water for at least 15 minutes; seek medical attention if irritation persists.
Ingestion: Rinse mouth with water; consult a physician; very low acute oral hazard.

Firefighting Measures for Sebacic Acid, Dimethyl Ester:

Suitable extinguishing media: CO₂, dry chemical, alcohol-resistant foam, water spray (class B fire).
Specific hazards: Combustible liquid at elevated temperature (flash point ~163°C); vapours are heavier than air; combustion produces CO and CO₂; no unusual fire hazard at ambient temperature.
Protective equipment for firefighters: SCBA and full protective clothing; cool containers with water spray.

Accidental Release Measures for Sebacic Acid, Dimethyl Ester:

Personal precautions: Wear appropriate PPE; ventilate area; eliminate ignition sources if large quantities are heated.
Environmental precautions: Biodegradable and low environmental toxicity; prevent large quantities from entering watercourses.
Clean-up: Absorb with inert material (vermiculite, sand); collect in closed containers; dispose as non-hazardous chemical waste per applicable regulations.

Exposure Controls / Personal Protective Equipment for Sebacic Acid, Dimethyl Ester:

Engineering controls: Good general ventilation; local exhaust at elevated processing temperatures.
Eye protection: Safety glasses or goggles.
Hand protection: Nitrile or neoprene gloves for prolonged contact.
Respiratory protection: None required under normal ambient conditions; organic vapour cartridge for hot processing.

Sebacic Acid, Dimethyl Ester Identifiers:
CAS Number: 106-79-6
EC Number: 203-431-4
REACH: 01-2119438365-XXXX
MDL Number: MFCD00008472
PubChem CID: 68143
CHEBI: 194205
CHEMBL: CHEMBL3186083
DTXSID: DTXSID1026740
UNII: G87745M355
NSC: 9415
IUPAC Name: Dimethyl decane-1,10-dioate
Linear Formula: CH₃OOC(CH₂)₈COOCH₃ (C₁₂H₂₂O₄)
Molecular Formula: C₁₂H₂₂O₄
Molecular Weight: 230.30 g/mol
Exact Mass: 230.15180918 Da
SMILES: COC(=O)CCCCCCCCC(=O)OC
InChI: InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
InChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-N
XLogP3: 2 (estimated)
TPSA: 52.6 Å²
HBA: 4; HBD: 0; Rotatable bonds: 11
GHS: Not Classified
Flash point: ~163°C
Boiling point: ~294°C (760 mmHg); ~215°C (14 mmHg)
Origin: Bio-based (castor oil derived)

Properties of Sebacic Acid, Dimethyl Ester:
Physical state: Liquid
Appearance: Clear, colourless to very pale yellow liquid; faint fruity-estery odour
Molecular formula: C₁₂H₂₂O₄
Molecular weight: 230.30 g/mol
Boiling point: ~294°C (760 mmHg); 215–220°C (14 mmHg)
Flash point: ~163°C
Density: ~0.988 g/cm³ (20°C)
Refractive index: n20/D ~1.435
Vapour pressure: Negligible (ambient temperature)
Water solubility: Sparingly soluble
Organic solvent solubility: Miscible with ethanol, acetone, chloroform, ether, benzene, oils
XLogP3: 2; TPSA: 52.6 Å²
GHS: Not Classified
Origin: Bio-based (castor oil)
Storage: Below 30°C; tightly closed; away from strong bases and oxidants

Sebacic Acid, Dimethyl Ester — Specifications:
Product name: Sebacic acid, dimethyl ester (Dimethyl sebacate, DMS)
CAS Number: 106-79-6
EC Number: 203-431-4
Molecular Formula: C₁₂H₂₂O₄
Molecular Weight: 230.30 g/mol
Purity: ≥95% (technical); ≥98% (pure); ≥99% (high purity); analytical standard
Acid value: ≤1.0 mgKOH/g
Refractive index: n20/D 1.434–1.436
Density: 0.984–0.990 g/cm³ (20°C)
Colour (APHA): ≤10
Water content: ≤0.1%
Appearance: Clear, colourless liquid
Boiling point: ~294°C (760 mmHg)
Flash point: ~163°C
GHS: Not Classified
Origin: Bio-based (castor oil derived)
Storage: Below 30°C; tightly closed; cool, dry, ventilated
Packaging: 200 kg steel drum; IBC; bulk tank
Documents: CoA, SDS available

Names of Sebacic Acid, Dimethyl Ester:
Sebacic acid, dimethyl ester
Dimethyl sebacate
DMS
Dimethyl decanedioate
Decanedioic acid dimethyl ester
Dimethyl decane-1,10-dioate
Decanedioic acid 1,10-dimethyl ester
1,8-Octanedicarboxylic acid bis-methyl ester
Dimethyl octane-1,8-dicarboxylate
Methyl sebacate
NSC 9415
MFCD00008472
UNII G87745M355
DTXSID1026740
CHEBI 194205
CAS 106-79-6
EC 203-431-4
EINECS 203-431-4