ChemicalBook--->CAS DataBase List--->3319-31-1

3319-31-1

3319-31-1 Structure

3319-31-1 Structure
IdentificationMore
[Name]

Trioctyl trimellitate
[CAS]

3319-31-1
[Synonyms]

1,2,4-BENZENETRICARBOXYLIC ACID TRIS(2-ETHYLHEXYL) ESTER
TOTM-CA PLASTICIZER
TRI(2-ETHYLHEXYL) TRIMELLITATE
TRIMELLITIC ACID TRIS(2-ETHYLHEXYL) ESTER
TRIOCTYL 1,2,4-BENZENETRICARBOXYLATE
TRIOCTYL TRIMELLITATE
TRIS(2-ETHYLHEXYL)1,2,4-BENZENETRICARBOXYLATE
TRIS(2-ETHYLHEXYL) TRIMELLITATE
1,2,4-benzenetricarboxyulicacid,tris(2-ethylhexyl)ester
2-Ethylhexyl trimellitate
hatcol200
Kodaflex TOTM
kodaflextotm
monosizerw710l
morflex510
Palatinol TOTM
Plasthall TOTM
PX-338
staflextotm
Totm
[EINECS(EC#)]

222-020-0
[Molecular Formula]

C33H54O6
[MDL Number]

MFCD00053799
[Molecular Weight]

546.78
[MOL File]

3319-31-1.mol
Chemical PropertiesBack Directory
[Appearance]

viscous yellow liquid
[Boiling point ]

414 °C(lit.)
[density ]

0.990 g/mL at 20 °C(lit.)
[vapor pressure ]

0Pa at 25℃
[refractive index ]

n20/D 1.485(lit.)
[Fp ]

505 °F
[storage temp. ]

Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Colourless
[Odor]

mild odor
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[Water Solubility ]

1.8ng/L at 25℃
[BRN ]

2683525
[Henry's Law Constant]

2.2×101 mol/(m3Pa) at 25℃, HSDB (2015)
[Cosmetics Ingredients Functions]

PLASTICISER
SKIN CONDITIONING - EMOLLIENT
SKIN CONDITIONING
[InChI]

1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3
[InChIKey]

KRADHMIOFJQKEZ-UHFFFAOYSA-N
[SMILES]

CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)c(c1)C(=O)OCC(CC)CCCC
[LogP]

8 at 25℃
[CAS DataBase Reference]

3319-31-1(CAS DataBase Reference)
[NIST Chemistry Reference]

1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester(3319-31-1)
[EPA Substance Registry System]

3319-31-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Warning
[Hazard statements ]

H361
[Precautionary statements ]

P201-P202-P281-P308+P313-P405-P501
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

1
[RTECS ]

DC2080000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29173990
[Storage Class]

10 - Combustible liquids
[Hazardous Substances Data]

3319-31-1(Hazardous Substances Data)
[Toxicity]

LD50 orl-mus: >60 g/kg GISAAA 46(5),87,81
Hazard InformationBack Directory
[General Description]

Yellow oily liquid.
[Reactivity Profile]

TRIS(2-ETHYLHEXYL) TRIMELLITATE(3319-31-1) is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

This compound is probably combustible.
[Chemical Properties]

TRIOCTYL TRIMELLITATE is viscous yellow liquid
[Uses]

TRIOCTYL TRIMELLITATE is a plasticizer that was evaluated for endocrine disrupting activities through estrogen receptor alpha binding assay.
[Definition]

ChEBI: Tri-2-ethylhexyl trimellitate is a benzoate ester.
[Production Methods]

TOTM is manufactured by acid-catalyzed esterification of trimellitic anhydride and 2-ethylhexanol.
[Flammability and Explosibility]

Nonflammable
[Safety Profile]

Very low toxicity by ingestion.When heated to decomposition it emits acrid smoke andirritating vapors.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,2,4-benzenetricarboxylic acid tris(2-ethylhexyl) ester(3319-31-1).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Trioctyl trimellitate(3319-31-1)1HNMR
Trioctyl trimellitate(3319-31-1)13CNMR
Trioctyl trimellitate(3319-31-1)IR1
Trioctyl trimellitate(3319-31-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Tris(2-ethylhexyl)trimellitate, 98%(3319-31-1)
[TCI AMERICA]

Tris(2-ethylhexyl) Trimellitate,>95.0%(GC)(3319-31-1)
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