Tris(8-methylnonyl) 1,2,4-benzenetricarboxylate

Basic Information

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CAS Number

36631-30-8

Molecular Formula

C39H66O6

Molecular Weight

630.95 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC(C)CCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C

InChI

InChI=1S/C39H66O6/c1-31(2)22-16-10-7-13-19-27-43-37(40)34-25-26-35(38(41)44-28-20-14-8-11-17-23-32(3)4)36(30-34)39(42)45-29-21-15-9-12-18-24-33(5)6/h25-26,30-33H,7-24,27-29H2,1-6H3

InChIKey

FJFYFBRNDHRTHL-UHFFFAOYSA-N

LogP

11.14679999999999

Topological Polar Surface Area

78.90000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

761

Synonyms & References

English

tri-isodecyl trimellitate
DUB TMI
Tox21_302650
tris(8-methylnonyl) benzene-1,2,4-tricarboxylate
1,2,4-Benzenetricarboxylic acid, 1,2,4-triisodecyl ester
DSSTox_CID_27180
CAS-36631-30-8
EC 253-138-0
36631-30-8
6IFP38QKFS
DTXSID40274208
DSSTox_RID_82177
UNII-6IFP38QKFS
tris(8-methylnonyl) trimellitate
Triisodecyl benzene-1,2,4-tricarboxylate
Q27264957
W-110880
Tri-isodecyl trimellitate, AldrichCPR
DSSTox_GSID_47180
NS00004388
NCGC00256922-01
TRIISODECYL TRIMELLITATE [INCI]
Triisodecyl trimellitate
EINECS 253-138-0
CHEMBL3182138
SCHEMBL45218
1,2,4-Benzenetricarboxylicacid, 1,2,4-triisodecyl ester
TRI-ISODECYL TRIMELLITATE
Triisodecyltrimellitate

MDL Number

MFCD00072287

FAQ

What are the physical and chemical properties of Tris(8-methylnonyl) 1,2,4-benzenetricarboxylate (CAS: 36631-30-8)?

Tris(8-methylnonyl) 1,2,4-benzenetricarboxylate (CAS: 36631-30-8) is a crystalline compound with a molecular weight of approximately 480 g/mol. It has a high melting point and is poorly soluble in water but soluble in organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly in esterification reactions, and is stable under normal conditions.

How is Tris(8-methylnonyl) 1,2,4-benzenetricarboxylate (CAS: 36631-30-8) typically synthesized?

Tris(8-methylnonyl) 1,2,4-benzenetricarboxylate (CAS: 36631-30-8) is typically synthesized through the esterification of benzenetricarboxylic acid with 8-methylnonanol in the presence of a catalyst such as p-toluenesulfonic acid. The reaction involves the formation of an ester through a condensation reaction, yielding a product with a high yield and good selectivity.

What industries use Tris(8-methylnonyl) 1,2,4-benzenetricarboxylate (CAS: 36631-30-8)?

Tris(8-methylnonyl) 1,2,4-benzenetricarboxylate (CAS: 36631-30-8) is used in various industries, including pharmaceuticals for drug formulations, polymers for specialty coatings, and sensors for chemical detection. It also finds applications in the production of semiconductors and as a stabilizer in various organic solvents.

What precautions should be taken when handling Tris(8-methylnonyl) 1,2,4-benzenetricarboxylate (CAS: 36631-30-8)?

When handling Tris(8-methylnonyl) 1,2,4-benzenetricarboxylate (CAS: 36631-30-8), it is important to use personal protective equipment (PPE) such as gloves and goggles. Operations should be conducted in a well-ventilated area, preferably with a fume hood. Spills should be cleaned up immediately with appropriate absorbent materials, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.