Trimethyl 1,2,4-benzenetricarboxylate
Basic information
- CAS
2459-10-1- Standard SMILES
COC(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1- InChIKey
MJHNUUNSCNRGJE-UHFFFAOYSA-N- Molecular formula
- C12H12O6
- Average molar mass
- 252.22 g/mol
- Monoisotopic mass
- 252.0633881
Names & identifiers
- Preferred name
- Trimethyl 1,2,4-benzenetricarboxylate
- IUPAC
- trimethyl benzene-1,2,4-tricarboxylate
- English name
- TRIMETHYL 1,2,4-BENZENETRICARBOXYLATE
- Molecular formula
- C12H12O6
- Molecular weight
- 252.22
Names & synonyms
Trimethyl trimellitate2459-10-1Trimethyl benzene-1,2,4-tricarboxylateTRIMETHYL 1,2,4-BENZENETRICARBOXYLATEMethyl trimellitateTrimellitic acid trimethyl ester1,2,4-Benzenetricarboxylic acid, 1,2,4-trimethyl esterDTXSID80446201,2,4-Benzenetricarboxylic acid, trimethyl ester16O7DT5N66DTXCID6024620HSDB 5880
Show more names
methyltrimellitateTIMTEC-BB SBB0079651,2,4-Tris(methoxycarbonyl)benzenerimethylbenzene-1,2,4-tricarboxylate1,2,4-Benzenetricarboxylic acid trimethyl
EINECS 219-547-3AI3-082191,2,4-BENZENETRICARBOXYLIC ACID, TRIMETHYLTRIMETHYL 1,2,4-BENZENETRICARBOXYLATE [HSDB]RefChem:899737Trimethyl benzene1,2,4tricarboxylate1,2,4Benzenetricarboxylic acid, trimethyl ester1,2,4Benzenetricarboxylic acid, 1,2,4trimethyl ester
Database identifiers
- CAS
2459-10-1- PubChem CID
- 17159
- DTXSID
DTXSID8044620- ChEMBL
CHEMBL3183850- UNII
- 16O7DT5N66
- EC Number
- 219-547-3
- Nikkaji
- J1.813I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
PolymersPlastics & Rubber -> Phthalate Esters
SpringerMaterials PropertiesBoiling point
Density1.261
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point194 °C at 12 mm Hg
Melting Point-13 °C
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Refractive IndexIndex of Refraction= 1.5230 at 20 °C
Physical DescriptionWhite solid; [MSDSonline]
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 109 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,2,4-Benzenetricarboxylic acid, trimethyl ester
Regulation (EC) No 1935/2004 (amended)
Status: Active Update: 15-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27667
Hazards SummarySalivation, weakness, and weight loss were observed in oral lethal dose studies of rats; Rats died 4 days after dosing; Oral LD50 (rat) = 12,232 mg/kg; [HSDB] May cause irritation; [MSDSonline] See PHTHALATE ESTERS.
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Safety & protection
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Toxicology
Adverse Effects
Chemistry & industry
Uses & manufacturing
UsesPossible use as plasticizer; [HSDB]
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) No Data
(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Methods of ManufacturingESTERIFICATION OF TRIMELLITIC ANHYDRIDE WITH METHYL ALCOHOL
General Manufacturing Information
1,2,4-Benzenetricarboxylic acid, 1,2,4-trimethyl ester: ACTIVE
ADDITION OF TRIMELLITIC ACID ESTERS, INCLUDING TRIMETHYL 1,2,4-BENZENETRICARBOXYLATE, MARKEDLY DECREASED DRIFT OF AGROCHEMICAL POWDER & IMPROVED FLUIDITY & ADHESIVENESS ON PLANTS.
PLASTICIZER (POSSIBLE USE)
Applications
UsesTrimethyl 1,2,4-benzenetricarboxylate has been used in the synthesis of polymers which can be cleaved at predetermined sites by ionizing radiations.
General DescriptionStandard enthalpy of combustion of trimethyl 1,2,4-benzenetricarboxylate has been measured using bomb calorimetry.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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