PRODUCTS

TRIMELLITIC ACID

Trimellitic acid can also be used to synthesize Ln3+ encapsulated nanocrystals which exhibit white-light luminescence.
Trimellitic acid also serves as a functional monomer and component in alkyd, polyester, and epoxy resin systems, where it promotes crosslinking and network formation to enhance hardness, thermal stability, and adhesion of coatings and composites
Trimellitic acid is utilized in the production of various polymers, serving as a corrosion inhibitor, a plasticizer, and as a precursor for pharmaceuticals and dyes.

CAS Number: 528-44-9
EC Number / EINECS: 208-432-3
Molecular formula: C₉H₆O₆
Molecular weight: 210.14 g/mol

SYNONYMS:
Benzene-1,2,4-tricarboxylic acid, 1,2,4-Benzenetricarboxylic acid, 4-Carboxyphthalic acid, 1,2,4-Tricarboxybenzene, 1,2,4-Benzenetricarboxylic acid, 528-44-9, TRIMELLITIC ACID, Benzene-1,2,4-tricarboxylic acid, 1,2,4-Tricarboxybenzene, 4-Carboxyphthalic acid, 1,3,4-Benzenetricarboxylic acid, 1,4,5-Benzenetricarboxylic acid, DTXSID3021487, 7NVY29MQ5F, NSC-72986, DTXCID101487, CHEBI:166055, RefChem:191724, 208-432-3, Trimellic Acid, MFCD00002470, TRIMELLITIC ACID [MI], Tox21_201939, CCG-245088, AS-17898, CAS-528-44-9, Z203045298, 1,2,4-Benzenetricarboxylicacid, EINECS 208-432-3, NSC 72986, UNII-7NVY29MQ5F, BRN 2214815, GHM, 1,4-Tricarboxybenzene, WLN: QVR BVQ DVQ, SCHEMBL23861, 4-09-00-03746 (Beilstein Handbook Reference), 1,4-Benzenetricarboxylic acid, CHEMBL296024, SCHEMBL1314264, SCHEMBL2778570, SCHEMBL2779477, SCHEMBL11055063, SCHEMBL29350135, MSK2710, HMS1668A11, NSC72986, Tox21_302990, AC2198, BBL011593, EBC-14263, SBB060455, STL163328, AKOS005716310, NCGC00256331-, CS-W015125, FB33024, NCGC00164021-01, NCGC00164021-02, NCGC00256331-01, NCGC00259488-01, AC-12673, SY010192, 1,2,4-Benzenetricarboxylic acid, >=99%, DB-071592, B0042, EU-0066742, NS00002199, ST50307841, EN300-24942, All Photos(1)1,2,4-Benzenetricarboxylic acid, AH-034/32470036, F358307, Q2001805, 1,2,4- benzene tricarboxylic acid, benzene-1,2,4-tricarboxylic acid, 1,2,4- benzenetricarboxylic acid, 1,2,4- benzenetricarboxylicacid, Benzene-1,2,4-tricarboxylic acid, Trimellitic acid, 1,2,4-Benzenetricarboxylic acid, 528-44-9, TRIMELLITIC ACID, Benzene-1,2,4-tricarboxylic acid, 1,2,4-Tricarboxybenzene, 4-Carboxyphthalic acid, 1,3,4-Benzenetricarboxylic acid, 1,4,5-Benzenetricarboxylic acid, UNII-7NVY29MQ5F, 7NVY29MQ5F, CHEBI:166055, MFCD00002470, DSSTox_CID_1487, DSSTox_RID_76181, DSSTox_GSID_21487, 1,2,4-Benzenetricarboxylicacid, CAS-528-44-9, EINECS 208-432-3, NSC 72986, BRN 2214815, GHM, 1,4-Tricarboxybenzene, WLN: QVR BVQ DVQ, SCHEMBL23861, 4-09-00-03746 (Beilstein Handbook Reference), 1,4-Benzenetricarboxylic acid, CHEMBL296024, DTXSID3021487, HMS1668A11, ZINC105301, ACT06811, AMY13397, NSC72986, Tox21_201939, Tox21_302990, AC2198, BBL011593, NSC-72986, STL163328, AKOS005716310, CCG-245088, CS-W015125, LS10175, MCULE-7395677755, NCGC00164021-01, NCGC00164021-02, NCGC00256331-01, NCGC00259488-01, AC-12673, AS-17898, SY010192, 1,2,4-Benzenetricarboxylic acid, >=99%, DB-071592, B0042, 1,2,4-Benzenetricarboxylic acid,1,2,4-Tricarboxybenzene,Trimellitic acid,1,4,5-Benzenetricarboxylic acid,1,3,4-Benzenetricarboxylic acid,4-Carboxyphthalic acid,NSC 72986,F-TMA,ETM,Trimellic acid,Benzene-1,2,5-tricarboxylic acid, TRIMELLITIC ACID,BENZENE-1,2,4-TRICARBOXYLIC ACID,rimelliticaci,TriMellitic aci,Trimellitic Acid >4-carboxyphthalicacid,1,2,4-Tricarboxybenzene,BENZENETRICARBOXYLICACID,Benzol-1,2,4-tricarbonsure,1,3,4-benzenetricarboxylicacid, 1,2,4-Tricarboxybenzene, 1,3,4-Benzenetricarboxylic Acid, 1,4,5-Benzenetricarboxylic Acid, 4-Carboxyphthalic Acid, Benzene-1,2,5-tricarboxylic Acid, ETM, F-TMA, NSC 72986, Trimellitic Acid, 1,2,4-Benzenetricarboxylic acid, 528-44-9, TRIMELLITIC ACID, Benzene-1,2,4-tricarboxylic acid, 1,2,4-Tricarboxybenzene, 4-Carboxyphthalic acid, 1,3,4-Benzenetricarboxylic acid, 1,4,5-Benzenetricarboxylic acid, DTXSID3021487, 7NVY29MQ5F, Trimellitic acid, 1,2,4-Benzenetricarboxylic acid, Benzene-1,2,4-tricarboxylic acid, 1,2,4-Tricarboxybenzene, 4-Carboxyphthalic acid, 1,3,4-Benzenetricarboxylic acid, 1,4,5-Benzenetricarboxylic acid, Trimellic acid, TMA, NSC 72986

Trimellitic acid (benzene-1,2,4-tricarboxylic acid) is a chemical compound with the molecular formula C6H3(СООН)3.
Like the other isomers of benzenetricarboxylic acid, trimellitic acid is a colorless solid.
Trimellitic acid is prepared by oxidation of 1,2,4-trimethylbenzene.
Trimellitic acid, also known as 1,2,4-benzenetricarboxylic acid, is an aromatic tricarboxylic acid characterized by its three carboxylic acid functional groups attached to a benzene ring.

Trimellitic acid appears as a white crystalline solid and is soluble in water, alcohols, and other polar solvents.
Trimellitic acid has a molecular formula of C9H6O6 and a molecular weight of approximately 210 g/mol.
Trimellitic acid is a significant compound in the field of organic chemistry and materials science.

Trimellitic acid is a colorless crystals.
Trimellitic acid is partially soluble in DMF and alcohol; insoluble in benzene and carbon disulfide; slightly soluble in water.
Trimellitic acid is benzene substituted at the 1,2, and 4 positions by carboxy groups.

Trimellitic acid is benzene substituted at the 1,2, and 4 positions by carboxy groups.
Trimellitic acid (1,2,4-Benzenetricarboxylic acid) is a metal-organic framework (MOF).
1,2,4-Benzenetricarboxylic acid (CAS 528-44-9), commonly known as trimellitic acid (TMA), is an asymmetric aromatic tricarboxylic acid with the molecular formula C₉H₆O₆ and a molecular weight of 210.14 g/mol.

Trimellitic acid is a white crystalline solid with a melting point of 229–231 °C.
Unlike its symmetrical isomer trimesic acid (1,3,5-benzenetricarboxylic acid) and its adjacent-carboxyl isomer hemimellitic acid (1,2,3-benzenetricarboxylic acid), trimellitic acid possesses a 1,2,4-substitution pattern that imparts a unique spatial orientation of carboxyl groups, directly influencing its coordination chemistry, solubility profile, and acid-base behavior

Trimellitic acid, with the chemical formula C9H6O6, is a tricarboxylic acid that exists as a white crystalline solid.
Trimellitic acid is soluble in water and has a melting point of 164-166°C.
At room temperature, trimellitic acid is a white crystalline solid that is slightly soluble in water and exhibits low volatility.

Trimellitic acid is commonly known as benzene-1,2,4-tricarboxylic acid, 1,2,4-benzenetricarboxylic acid, and TMA, names under which it is marketed.
Trimellitic acid is composed of carbon, hydrogen, and oxygen atoms, and contains three carboxylic acid functional groups.
These groups are responsible for Trimellitic acid's acidic properties and ability to form salts and esters.

The molecular structure features a benzene ring with three carboxyl groups (-COOH) attached at positions 1, 2, and 4, which are connected via covalent bonds.
Trimellitic acid was first synthesized in the early 20th century during studies on aromatic carboxylic acids.

Trimellitic acid does not occur commonly in nature but can be formed through the oxidation of pseudocumene (1,2,4-trimethylbenzene), a compound derived from coal tar or petroleum refining.
Industrially, Trimellitic acid is produced by the liquid-phase oxidation of pseudocumene using air or oxygen in the presence of a catalyst such as cobalt or manganese salts.

USES and APPLICATIONS of TRIMELLITIC ACID:
Trimellitic acid is used as an intermediate in the preparation of resins, plasticizers, dyes, inks, and adhesives.
1,2,4-Benzenetricarboxylic acid, or Trimellitic acid, is primarily used as an intermediate in pharmaceutical synthesis.
Trimellitic acid is essential for developing a variety of complex chemical compounds.

Trimellitic acid is primarily used in the production of polyesters, plasticizers, and as a chemical intermediate in various industrial applications.
Trimellitic acid's structure allows for the formation of cross-linked polymers, enhancing the mechanical properties of materials.
Additionally, trimellitic acid can undergo various chemical reactions, including esterification and amidation, making it versatile in organic synthesis.

Trimellitic acid is generally used as a carboxylate ligand in the synthesis of a wide range of metal-organic frameworks (MOFs).
Trimellitic acid can also be used to synthesize Ln3+ encapsulated nanocrystals which exhibit white-light luminescence.
Uses of Trimellitic acid: Intermediate in the preparation of resins, plasticizers, dyes, inks, adhesives.

Trimellitic acid (CAS 528-44-9) is mainly used as a building block to prepare trimellitic anhydride, a key monomer for high-temperature polymers and coatings.
Trimellitic acid also serves as a functional monomer and component in alkyd, polyester, and epoxy resin systems, where it promotes crosslinking and network formation to enhance hardness, thermal stability, and adhesion of coatings and composites

Trimellitic acid is utilized in the production of various polymers, serving as a corrosion inhibitor, a plasticizer, and as a precursor for pharmaceuticals and dyes.
Used in Polymer Production: Trimellitic acid is used as a monomer in the production of polyester resins and polyamides, contributing to the formation of high-performance polymers with enhanced properties.

Used in Corrosion Inhibition: As a corrosion inhibitor, trimellitic acid is employed to protect materials from degradation caused by chemical or electrochemical reactions, thereby extending the service life of various industrial components.
Used as a Plasticizer: Trimellitic acid functions as a plasticizer, enhancing the flexibility and workability of materials in applications such as the manufacturing of plastics and rubber products.

Used in Pharmaceutical Production: Trimellitic acid serves as a precursor in the synthesis of pharmaceuticals, playing a crucial role in the development of new drugs and medicinal compounds.
Used in Dye Production: In the dye industry, trimellitic acid is utilized as a precursor for the production of various dyes, contributing to the creation of a wide range of colorants for different applications.

Trimellitic acid serves as an important intermediate in the production of trimellitate esters, which are used as plasticizers in polyvinyl chloride (PVC) and other polymers.
Trimellitic acid is also used in the synthesis of polyimides and polyester resins, which find applications in coatings, adhesives, and electrical insulation materials.
In some cases, Trimellitic acid is employed in the formulation of surfactants and lubricant additives due to its multifunctional acidic nature.

-Polymer and resin production uses of Trimellitic acid:
Trimellitic acid is used as an intermediate in the preparation of resins and polymeric materials.
Its three carboxylic acid groups provide multiple reaction sites, making Trimellitic acid useful where multifunctionality is required in polymer synthesis.
Trimellitic acid can participate in esterification and condensation reactions with polyols and other reactive compounds to produce polymeric structures.

-Plasticizers and plasticizer-related chemistry uses of Trimellitic acid:
Trimellitic acid is used as a chemical intermediate for producing trimellitate esters, which are important plasticizer-type materials.
Esterification of the acid with suitable alcohols generates products with useful low-volatility and polymer-compatibility characteristics.
Trimellitate ester chemistry is particularly associated with flexible polymer formulations.

-Coatings and paints uses of Trimellitic acid:
Trimellitic acid and its derivatives can be used in the preparation of coating resins, protective coatings and related formulations.
Trimellitic acid's multifunctional aromatic structure can contribute to the development of polymers with desirable hardness, chemical resistance and thermal properties.

-Adhesives uses of Trimellitic acid:
Trimellitic acid is reported as an intermediate in adhesive-related chemistry.
Trimellitic acid's multifunctional carboxylic acid structure enables it to participate in resin systems where multiple chemical interactions and polymer formation are required.

-Dyes and inks uses of Trimellitic acid:
Trimellitic acid is also identified as an intermediate for dyes and inks.
Trimellitic acid's aromatic structure and multiple carboxyl groups provide a useful platform for chemical derivatization and synthesis of more complex functional molecules.

-Metal-organic frameworks and coordination materials uses of Trimellitic acid:
A more specialized application is Trimellitic acid's use as a carboxylate ligand in the synthesis of metal-organic frameworks (MOFs).
Because Trimellitic acid has three carboxyl groups arranged around an aromatic core, it can connect metal centers or metal-containing clusters into extended coordination structures.

This multifunctionality makes Trimellitic acid useful for research involving porous materials, coordination polymers, luminescent materials and other advanced functional materials.
Trimellitic acid is used as a carboxylate ligand in the synthesis of a wide range of MOFs.

-Luminescent materials uses of Trimellitic acid:
Trimellitic acid has also been used in the preparation of lanthanide-containing nanocrystals and coordination materials with luminescent properties, including systems investigated for white-light emission.
This is a more specialized research and advanced-materials application rather than a bulk industrial use.

-Food-contact polymer applications of Trimellitic acid:
An important regulatory point is that ECHA's EU chemicals information system identifies Trimellitic acid as FCM No. 347 in the Union list for plastic food-contact materials.
Trimellitic acid is listed as a monomer/macromolecule starting substance rather than as an additive or polymer-production aid, with a reported group specific migration limit of 5 mg/kg, subject to the applicable EU food-contact legislation and conditions.
This does not mean that Trimellitic acid itself should be used directly in food; the regulatory listing concerns its permitted use in regulated plastic materials and articles.

CHEMICAL PROPERTIES of TRIMELLITIC ACID:
Trimellitic acid contains an aromatic benzene ring substituted with three carboxylic acid groups.
The arrangement of the groups at positions 1,2,4 gives Trimellitic acid an asymmetrical substitution pattern and distinguishes it from the 1,2,3- and 1,3,5-isomers.
The three carboxyl groups make Trimellitic acid a triprotic acid, meaning that it can theoretically release three acidic protons in successive ionization steps.
Reported pKa values of Trimellitic acid are approximately 2.52, 3.84 and 5.20 at 25 °C

BENEFITS and ADVANTAGES of TRIMELLITIC ACID:
The main technical advantage of Trimellitic acid is its multifunctionality.
Having three carboxylic acid groups on one aromatic molecule allows Trimellitic acid to participate in several reactions and makes it useful for constructing more complex molecular and polymeric structures.

Trimellitic acid's principal advantages include:
Three reactive carboxyl groups, providing high chemical functionality.
Aromatic structure, contributing rigidity to derived polymeric materials.

Ability to form esters, allowing preparation of useful derivatives and intermediates.
Ability to form salts, enabling different chemical forms for specific applications.
Metal-binding ability, useful in coordination chemistry and MOF synthesis.

Polymer-building capability, useful for resin and coating chemistry.
Versatile derivatization, allowing the production of a broad range of chemical intermediates.

Useful thermal characteristics, including a relatively high melting/decomposition temperature.
Established industrial relevance, particularly in resin, plasticizer and polymer-related chemistry.
Advanced-material potential, particularly in coordination polymers, MOFs and luminescent materials.

CHARACTERISTICS of TRIMELLITIC ACID:
Trimellitic acid can be characterized as a multifunctional aromatic organic acid.
Its combination of an aromatic ring and three carboxyl groups gives Trimellitic acid a balance of rigidity, polarity and chemical reactivity.
Trimellitic acid is relatively small, with a molecular weight of approximately 210.14 g/mol, but its three acidic groups give it considerably more functionality than ordinary monocarboxylic aromatic acids.

Trimellitic acid's three-stage acid dissociation behavior and ability to form hydrogen bonds are important factors governing its physical and chemical behavior.
Another important characteristic is Trimellitic acid's ability to act as a multidentate ligand after deprotonation.
The carboxylate groups can interact with metal ions, which explains Trimellitic acid's usefulness in coordination chemistry and MOF synthesis.

PURIFICATION METHODS of TRIMELLITIC ACID:
Crystallise the acid from acetic acid or aqueous EtOH.

ISOMERS OF TRIMELLITIC ACID:
Hemimellitic acid (benzene-1,2,3-tricarboxylic acid)
Trimesic acid (benzene-1,3,5-tricarboxylic acid)
Trimellitic acid is benzene substituted at the 1,2, and 4 positions by carboxy groups.

Trimellitic acid is an aromatic tricarboxylic acid in which a benzene ring carries three carboxylic acid groups at the 1,2,4-positions.
Trimellitic acid's systematic IUPAC name is benzene-1,2,4-tricarboxylic acid.

Trimellitic acid belongs to the benzenetricarboxylic acid family and is one of the structural isomers of benzenetricarboxylic acid, alongside hemimellitic acid (1,2,3-benzenetricarboxylic acid) and trimesic acid (1,3,5-benzenetricarboxylic acid).
Trimellitic acid is a neutral molecular compound in its pure acid form and is classified chemically as a tricarboxylic acid and a Brønsted acid.

Trimellitic acid is particularly important as a multifunctional aromatic building block because its three carboxyl groups provide several reactive sites.
This functionality allows Trimellitic acid to participate in esterification, coordination with metal ions and polymer-forming reactions.
Consequently, Trimellitic acid has applications as an intermediate in polymer and resin chemistry and as a multifunctional ligand in materials chemistry.

METHODS OF MANUFACTURING of TRIMELLITIC ACID:
Trimellitic acid is obtained by using meta-toluene (1, 2, 4-trimethylbenzene) as raw material, through nitric acid oxidation or potassium permanganate oxidation or liquid phase air oxidation.

1.
The first step oxidation of nitric acid oxidation method: the molar ratio of mesitylene and nitric acid is 1: 2.16, the concentration of nitric acid is 17%, the reaction temperature is 200 ℃, and the reaction pressure is about 3.9 MPa or less.
The second step oxidation: the molar ratio of meta-toluene to nitric acid is 1:4.5, the concentration of nitric acid is 50%, the reaction temperature is 180°C, and the reaction pressure is about 3.9 MPa or less.
The trimellitic acid mother liquor obtained by the reaction is cooled, crystallized, centrifuged and washed to dry the finished product.
The yield is over 55%.

2.
The potassium permanganate oxidation method uses 95% purity of meta-trimethylbenzene as the raw material, and is oxidized with potassium permanganate at a temperature of 90-95℃ in the presence of 20-30 times water, and the resulting product is acidified and recrystallized , Dry, get white needle crystal.

CHEMICAL REACTIVITY AND FUNCTIONAL CHARACTERISTICS of TRIMELLITIC ACID:
One of the most important characteristics of Trimellitic acid is its three reactive carboxyl groups.
This gives Trimellitic acid considerably greater functionality than monocarboxylic aromatic acids such as benzoic acid.
The carboxyl groups can undergo conventional organic reactions including esterification, acid-base reactions, salt formation and condensation reactions.

In polymer chemistry, the multiple functional groups can be exploited to introduce branching, crosslinking or multifunctional aromatic structures into polymeric materials.
Trimellitic acid can also be converted into derivatives such as esters and anhydride-related intermediates.
The corresponding trimellitic anhydride is an especially important industrial derivative and is chemically related to Trimellitic acid.

The carboxylate form of Trimellitic acid is also capable of coordinating metal ions.
This property makes Trimellitic acid useful as a multifunctional organic ligand in coordination chemistry and in the preparation of metal-organic frameworks (MOFs) and related coordination materials.

PHYSICAL and CHEMICAL PROPERTIES of TRIMELLITIC ACID:
Chemical name: Trimellitic acid
IUPAC name: Benzene-1,2,4-tricarboxylic acid
CAS Number: 528-44-9
EC Number / EINECS: 208-432-3
PubChem CID: 10708
ChEBI ID: CHEBI:166055
Molecular formula: C₉H₆O₆
Molecular weight: 210.14 g/mol
Average molecular mass: 210.141 g/mol
Monoisotopic mass: 210.01644

Formal charge: 0
Chemical class: Aromatic tricarboxylic acid
Functional groups: Three carboxylic acid (-COOH) groups attached to an aromatic benzene ring
Appearance: White/colorless crystalline solid or crystalline powder
PubChem compound identifier: CID 10708
Chemical formula C9H6O6
Molar mass 210.141 g·mol−1
Appearance White solid
Melting point 221–222 °C
Solubility in water 21 g/L
log P 2.721
Molecular Weight 210.14 g/mol

XLogP3 0.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 210.01643791 Da
Monoisotopic Mass 210.01643791 Da
Topological Polar Surface Area 112 Å²
Heavy Atom Count 15
Formal Charge 0
Complexity 297
Isotope Atom Count 0

Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
ECHA EINECS - REACH Pre-Reg: 208-432-3
FDA UNII: 7NVY29MQ5F
Nikkaji Web: J6.674E
Beilstein Number: 2214815
MDL: MFCD00002470
XlogP3: 0.30 (est)

Molecular Weight: 210.14202000
Formula: C9 H6 O6
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 219.00 °C.
Boiling Point: 505.51 °C.
Flash Point: 525.00 °F.
logP (o/w): 1.240 (est)
Soluble in:
water, 21000 mg/L @ 25 °C (exp)
Linear Formula: C6H3(CO2H)3

CAS Number: 528-44-9
Molecular Weight: 210.14
UNSPSC Code: 12352100
NACRES: NA.22
PubChem Substance ID: 24891790
EC Number: 208-432-3
Beilstein/REAXYS Number: 2214815
MDL number: MFCD00002470
Assay: ≥99%
Form: powder
Physical state powder: Color white
Odor No data available

Melting point/freezing point Melting point/range: 229 - 231 °C
Initial boiling point and boiling range No data available
Flammability (solid, gas) No data available
Upper/lower flammability or explosive limits No data available
Flash point No data available
Autoignition temperature No data available
Decomposition temperature No data available
pH No data available
Viscosity Viscosity, kinematic: No data available
Viscosity, dynamic: No data available

Water solubility No data available
Partition coefficient: n-octanol/water No data available
Vapor pressure No data available
Density No data available
Relative density No data available
Relative vapor density No data available
Particle characteristics No data available
Explosive properties No data available
Oxidizing properties No data available
Other safety information No data available

Molecular Formula / Molecular Weight C9H6O6 = 210.14
Physical State Solid
Storage Temperature Room Temperature (Recommended in a cool and dark place, <15°C)
CAS RN 528-44-9
Reaxys Registry Number 2214815
PubChem Substance ID 87563253
SDBS (AIST Spectral DB) 5878
Merck Index (14) 9702
MDL Number MFCD00002470
Molecular Weight: 210.14
Exact Mass: 210.14
BRN: 2214815
EC Number: 208-432-3

UNII: 7NVY29MQ5F
NSC Number: 72986
DSSTox ID: DTXSID3021487
HScode: 29173990
PSA: 112
XLogP3: 0.3
Appearance: White Crystalline Powder
Density: 0.317 g/cm3
Melting Point: 219 °C
Boiling Point: 200-220 °C
Flash Point: 273.6±25.2 °C
Refractive Index: 1.663
Water Solubility: H2O: 2.1 G/100 ML
Storage Conditions: 2-8°C

Molecular Weight:210.14
XLogP3:0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:210.01643791
Monoisotopic Mass:210.01643791
Topological Polar Surface Area:112
Heavy Atom Count:15
Complexity:297
Covalently-Bonded Unit Count:1

Compound Is Canonicalized:Yes
CBNumber:CB2146335
Molecular Formula:C9H6O6
Molecular Weight:210.14
MDL Number:MFCD00002470
MOL File:528-44-9.mol
Melting point 229-231 °C (dec.)
Boiling point 309.65°C
Density 1.4844
refractive index 1.6630
storage temp. Sealed in dry,Room Temperature

solubility 2.1g/l
form Crystalline Powder
pka pK1: 2.52;pK2: 3.84;pK3: 5.20
color White
Water Solubility 2.1 G/100 ML
Merck 14,9702
BRN 2214815
InChI 1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKey ARCGXLSVLAOJQL-UHFFFAOYSA-N
SMILES OC(C1=C(C(O)=O)C=C(C(O)=O)C=C1)=O
LogP 1.240 (est)

Indirect Additives used in Food Contact Substances TRIMELLITIC ACID
CAS DataBase Reference 528-44-9
FDA 21 CFR 175.300; 175.320; 177.1390;177.2420
EWG's Food Scores 1
FDA UNII 7NVY29MQ5F
NIST Chemistry Reference 1,2,4-Benzenetricarboxylic acid
EPA Substance Registry System 1,2,4-Benzenetricarboxylic acid
UNSPSC Code 12352100
NACRES NA.22
Molecular Formula / Molecular Weight C9H6O6 = 210.14
Physical State Solid
Storage Temperature Room Temperature
CAS RN 528-44-9

Reaxys Registry Number 2214815
PubChem Substance ID 87563253
SDBS (AIST Spectral DB) 5878
Merck Index (14) 9702
MDL Number MFCD00002470
Physical state: Solid
Appearance: White/colorless crystals or crystalline powder
Molecular formula: C₉H₆O₆
Molecular weight: 210.14 g/mol
Melting point: approximately 229–231 °C, with decomposition
Boiling point: approximately 309.65 °C, estimated

Density: approximately 1.4844 g/cm³, estimated
Refractive index: approximately 1.6630, estimated
Water solubility: reported around 2.1 g/100 mL at 25 °C by ChemicalBook, although solubility values can vary according to experimental conditions
Solubility: slightly soluble in water; partially soluble in DMF and alcohol; insoluble in benzene and carbon disulfide
Storage: generally stored tightly closed in a dry environment at room temperature
Physical form: crystalline powder/crystals
Aromatic character: Contains a benzene ring.
Polycarboxylic character: Contains three -COOH groups.
Triprotic acidity: Has three ionizable carboxylic acid protons.
Hydrogen-bonding capability: The carboxyl groups can act as both hydrogen-bond donors and acceptors.

Esterification: The carboxyl groups can react with alcohols to form esters.
Salt formation: It can react with bases to form trimellitate salts.
Metal coordination: Multiple carboxylate groups can coordinate metal ions.
Polymer reactivity: Its multifunctionality allows it to act as a building block or intermediate in polymer and resin chemistry.
Thermal behavior: It melts/decomposes at a relatively high temperature.
Polarity: The three carboxyl groups give the molecule substantially greater polarity than simple aromatic hydrocarbons.
Solubility dependence on pH: Its ionization state changes with pH, influencing aqueous solubility and interaction with metal ions.
SMILES: C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O
InChI: InChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKey: ARCGXLSVLAOJQL-UHFFFAOYSA-N
ChEBI classification: Tricarboxylic acid / Brønsted acid

FIRST AID MEASURES of TRIMELLITIC ACID:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.
*If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available

ACCIDENTAL RELEASE MEASURES of TRIMELLITIC ACID:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up dry.
Dispose of properly.
Clean up affected area.

FIRE FIGHTING MEASURES of TRIMELLITIC ACID:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2)
Foam
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.

EXPOSURE CONTROLS/PERSONAL PROTECTION of TRIMELLITIC ACID:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A
-Control of environmental exposure:
Do not let product enter drains.

HANDLING and STORAGE of TRIMELLITIC ACID:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.

STABILITY and REACTIVITY of TRIMELLITIC ACID:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available

For more information, you can contact Ataman Kimya.
İstanbul Head Office: +90 216 577 10 10
Fax: +90 216 577 42 80