Basic information
- CAS
2694-54-4- Standard SMILES
C=CCOC(=O)c1ccc(C(=O)OCC=C)c(C(=O)OCC=C)c1- InChIKey
GRPURDFRFHUDSP-UHFFFAOYSA-N- Molecular formula
- C18H18O6
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.11033829
Names & identifiers
- Preferred name
- Triallyl trimellitate
- IUPAC
- tris(prop-2-enyl) benzene-1,2,4-tricarboxylate
- English name
- Triallyl trimellitate
- Molecular formula
- C18H18O6
- Molecular weight
- 330.33
Names & synonyms
Triallyl trimellitate2694-54-4Triallyl benzene-1,2,4-tricarboxylate1,2,4-Benzenetricarboxylic acid, tri-2-propenyl esterTrimellitic acid triallyl esterTriam 7051,2,4-Triallyl trimellitateTriallyl 1,2,4-benzenetricarboxylateDTXSID4044901EINECS 220-264-24MJD3RL023Tri-2-propenyl 1,2,4-benzenetricarboxylate
Show more names
TαTMtriam705triallyltrimelliateTriallyl trimellitat1,2,4-triallyltrimellitatetriallyl trimelliate (TATM)trimelliticacidtriallylester
DTXCID20249011,2,4-Benzenetricarboxylic acid, 1,2,4-tri-2-propen-1-yl ester1,2,4-Benzenetricarboxylic acid, triallyl esterRefChem:8990261,2,4-Benzenetricarboxylic acid, triallyl ester (7CI,8CI)tris(prop-2-enyl) benzene-1,2,4-tricarboxylateMFCD00080653UNII-4MJD3RL023
Database identifiers
- CAS
2694-54-4- PubChem CID
- 75903
- DTXSID
DTXSID4044901
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 496
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section189.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4044901]
Physicochemical properties
- Boiling point
- 210 °C · 210°C 45mm
- Density
- 1.161 g/mL · 1.161 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.525(lit.)
- Flash point
- 110 °C · 110 °C
- storage temp.
- 2 · 2-8°C
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C18H18O6/c1-4-9-22-16(19)13-7-8-14(17(20)23-10-5-2)15(12-13)18(21)24-11-6-3/h4-8,12H,1-3,9-11H2
- InChIKey
- GRPURDFRFHUDSP-UHFFFAOYSA-N
- SMILES
- C1(C(OCC=C)=O)=CC=C(C(OCC=C)=O)C=C1C(OCC=C)=O
- FDA UNII
- 4 MJD3RL023 · 4MJD3RL023
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
This chemical does not meet GHS hazard criteria for 97.4% (37 of 38) of all reports.
Not Classified
Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1,2,4-Benzenetricarboxylic acid, tri-2-propenyl ester
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- rtecs
- DC2075000
- risk_code
- 36/37/38-36/37
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36-23
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2,4-Benzenetricarboxylic acid, 1,2,4-tri-2-propen-1-yl ester: ACTIVE
Applications
DescriptionTriallyl trimellitate (TATM or benzene-1,2,4-tricarboxylate), a pale yellow liquid, can be used as a highly effective crosslinker due to its three allyl groups.
Preparation methods
PreparationTriallyl trimellitate is prepared by the reaction of trimellitic anhydride and allyl alcohol under a sulfuric acid catalyst.
Upstream & downstream products
Upstream raw materials
Suppliers72 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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